5-O-tert-butyl 3-O-ethyl 7a-pyrrolidin-1-yl-3a,4,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;bis(ethyl 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate);pyrrolidine

C88H133Cl2N17O24 — CID 172984395

About 5-O-tert-butyl 3-O-ethyl 7a-pyrrolidin-1-yl-3a,4,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;bis(ethyl 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate);pyrrolidine

5-O-tert-butyl 3-O-ethyl 7a-pyrrolidin-1-yl-3a,4,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;bis(ethyl 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate);pyrrolidine (PubChem CID 172984395) has the molecular formula C88H133Cl2N17O24 and a molecular weight of 1884.03 g/mol. Its IUPAC name is 5-O-tert-butyl 3-O-ethyl 7a-pyrrolidin-1-yl-3a,4,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;bis(ethyl 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate);pyrrolidine.

Molecular Properties

• Compound Name: 5-O-tert-butyl 3-O-ethyl 7a-pyrrolidin-1-yl-3a,4,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;bis(ethyl 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate);pyrrolidine
• PubChem CID: 172984395
• Molecular Formula: C88H133Cl2N17O24
• Molecular Weight: 1884.03 g/mol
• Exact Mass: 1881.91
• IUPAC Name: 5-O-tert-butyl 3-O-ethyl 7a-pyrrolidin-1-yl-3a,4,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;bis(ethyl 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate);pyrrolidine
• SMILES: C1CCNC1.CC(C)(C)OC(=O)N1CC=C(N2CCCC2)CC1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CCOC(=O)/C(Cl)=N/O.CCOC(=O)C1=NOC2(N3CCCC3)CCN(C(=O)OC(C)(C)C)CC12.CCOC(=O)c1noc2c1CN(C(=O)OC(C)(C)C)CC2.CCOC(=O)c1noc2c1CNCC2.CCOC(=O)c1noc2c1CNCC2.Clc1ncnc2[nH]ccc12
• InChI: InChI=1S/C18H29N3O5.C14H20N2O5.C14H24N2O2.C10H17NO3.2C9H12N2O3.C6H4ClN3.C4H6ClNO3.C4H9N/c1-5-24-15(22)14-13-12-20(16(23)25-17(2,3)4)11-8-18(13,26-19-14)21-9-6-7-10-21;1-5-19-12(17)11-9-8-16(7-6-10(9)21-15-11)13(18)20-14(2,3)4;1-14(2,3)18-13(17)16-10-6-12(7-11-16)15-8-4-5-9-15;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;2*1-2-13-9(12)8-6-5-10-4-3-7(6)14-11-8;7-5-4-1-2-8-6(4)10-3-9-5;1-2-9-4(7)3(5)6-8;1-2-4-5-3-1/h13H,5-12H2,1-4H3;5-8H2,1-4H3;6H,4-5,7-11H2,1-3H3;4-7H2,1-3H3;2*10H,2-5H2,1H3;1-3H,(H,8,9,10);8H,2H2,1H3;5H,1-4H2/b;;;;;;;6-3-
• InChIKey: FYNBZXKGQLXBNY-ACTCBAJASA-N
• XLogP: 11.87
• TPSA: 483.14 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 12
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1884.03
LogP ≤ 5	11.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-O-tert-butyl 3-O-ethyl 7a-pyrrolidin-1-yl-3a,4,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;bis(ethyl 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate);pyrrolidine?

The IUPAC name of 5-O-tert-butyl 3-O-ethyl 7a-pyrrolidin-1-yl-3a,4,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;bis(ethyl 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate);pyrrolidine (CID 172984395) is 5-O-tert-butyl 3-O-ethyl 7a-pyrrolidin-1-yl-3a,4,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;bis(ethyl 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate);pyrrolidine.

What is the SMILES notation for 5-O-tert-butyl 3-O-ethyl 7a-pyrrolidin-1-yl-3a,4,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;bis(ethyl 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate);pyrrolidine?

The canonical SMILES for 5-O-tert-butyl 3-O-ethyl 7a-pyrrolidin-1-yl-3a,4,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;bis(ethyl 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate);pyrrolidine is C1CCNC1.CC(C)(C)OC(=O)N1CC=C(N2CCCC2)CC1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CCOC(=O)/C(Cl)=N/O.CCOC(=O)C1=NOC2(N3CCCC3)CCN(C(=O)OC(C)(C)C)CC12.CCOC(=O)c1noc2c1CN(C(=O)OC(C)(C)C)CC2.CCOC(=O)c1noc2c1CNCC2.CCOC(=O)c1noc2c1CNCC2.Clc1ncnc2[nH]ccc12.

What is the InChIKey of 5-O-tert-butyl 3-O-ethyl 7a-pyrrolidin-1-yl-3a,4,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;bis(ethyl 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate);pyrrolidine?

The InChIKey is FYNBZXKGQLXBNY-ACTCBAJASA-N. The full InChI is InChI=1S/C18H29N3O5.C14H20N2O5.C14H24N2O2.C10H17NO3.2C9H12N2O3.C6H4ClN3.C4H6ClNO3.C4H9N/c1-5-24-15(22)14-13-12-20(16(23)25-17(2,3)4)11-8-18(13,26-19-14)21-9-6-7-10-21;1-5-19-12(17)11-9-8-16(7-6-10(9)21-15-11)13(18)20-14(2,3)4;1-14(2,3)18-13(17)16-10-6-12(7-11-16)15-8-4-5-9-15;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;2*1-2-13-9(12)8-6-5-10-4-3-7(6)14-11-8;7-5-4-1-2-8-6(4)10-3-9-5;1-2-9-4(7)3(5)6-8;1-2-4-5-3-1/h13H,5-12H2,1-4H3;5-8H2,1-4H3;6H,4-5,7-11H2,1-3H3;4-7H2,1-3H3;2*10H,2-5H2,1H3;1-3H,(H,8,9,10);8H,2H2,1H3;5H,1-4H2/b;;;;;;;6-3-;.

What are the key properties of 5-O-tert-butyl 3-O-ethyl 7a-pyrrolidin-1-yl-3a,4,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;bis(ethyl 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate);pyrrolidine?

5-O-tert-butyl 3-O-ethyl 7a-pyrrolidin-1-yl-3a,4,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;bis(ethyl 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate);pyrrolidine has a molecular weight of 1884.03 g/mol, XLogP of 11.87, 12 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-O-tert-butyl 3-O-ethyl 7a-pyrrolidin-1-yl-3a,4,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;bis(ethyl 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate);pyrrolidine is sourced from PubChem (CID 172984395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).