ethyl 5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazole-3-carboxylate;1,2-oxazole

C18H25N3O6 — CID 67835428

IUPACethyl 5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazole-3-carboxylate;1,2-oxazole
SMILESCCOC(=O)c1cc([C@@H]2CCCN2C(=O)OC(C)(C)C)on1.c1cnoc1
InChIInChI=1S/C15H22N2O5.C3H3NO/c1-5-20-13(18)10-9-12(22-16-10)11-7-6-8-17(11)14(19)21-15(2,3)4;1-2-4-5-3-1/h9,11H,5-8H2,1-4H3;1-3H/t11-;/m0./s1
InChIKeyNWBNSCSIFOWDKG-MERQFXBCSA-N
MW379.41 g/mol
LogP3.60
Rot. Bonds3

About ethyl 5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazole-3-carboxylate;1,2-oxazole

ethyl 5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazole-3-carboxylate;1,2-oxazole (PubChem CID 67835428) has the molecular formula C18H25N3O6 and a molecular weight of 379.41 g/mol. Its IUPAC name is ethyl 5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazole-3-carboxylate;1,2-oxazole.

Molecular Properties

Compound Nameethyl 5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazole-3-carboxylate;1,2-oxazole
PubChem CID67835428
Molecular FormulaC18H25N3O6
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC Nameethyl 5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazole-3-carboxylate;1,2-oxazole
SMILESCCOC(=O)c1cc([C@@H]2CCCN2C(=O)OC(C)(C)C)on1.c1cnoc1
InChIInChI=1S/C15H22N2O5.C3H3NO/c1-5-20-13(18)10-9-12(22-16-10)11-7-6-8-17(11)14(19)21-15(2,3)4;1-2-4-5-3-1/h9,11H,5-8H2,1-4H3;1-3H/t11-;/m0./s1
InChIKeyNWBNSCSIFOWDKG-MERQFXBCSA-N
XLogP3.60
TPSA107.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,2-oxazole-3-carboxylate
CID 168510021
tert-butyl (2R)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate
CID 154457614
tert-butyl 2-[3-(3-chloro-2-methylphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate
CID 138691241
tert-butyl 2-(3-ethoxycarbonylphenyl)pyrrolidine-1-carboxylate
CID 74889513
tert-butyl 2-[3-(1,3-thiazol-4-yl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate
CID 68813555
ethyl 4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobutanoate
CID 60976035
1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 92731941
tert-butyl 2-[3-(3-fluoro-2-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate
CID 138691235
tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate
CID 124500862
2-amino-2-cyclopropyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 54873424
ethyl 3-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]triazole-4-carboxylate
CID 101407047
ethyl 2-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 93070433

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazole-3-carboxylate;1,2-oxazole?
The IUPAC name of ethyl 5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazole-3-carboxylate;1,2-oxazole (CID 67835428) is ethyl 5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazole-3-carboxylate;1,2-oxazole.
What is the SMILES notation for ethyl 5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazole-3-carboxylate;1,2-oxazole?
The canonical SMILES for ethyl 5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazole-3-carboxylate;1,2-oxazole is CCOC(=O)c1cc([C@@H]2CCCN2C(=O)OC(C)(C)C)on1.c1cnoc1.
What is the InChIKey of ethyl 5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazole-3-carboxylate;1,2-oxazole?
The InChIKey is NWBNSCSIFOWDKG-MERQFXBCSA-N. The full InChI is InChI=1S/C15H22N2O5.C3H3NO/c1-5-20-13(18)10-9-12(22-16-10)11-7-6-8-17(11)14(19)21-15(2,3)4;1-2-4-5-3-1/h9,11H,5-8H2,1-4H3;1-3H/t11-;/m0./s1.
What are the key properties of ethyl 5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazole-3-carboxylate;1,2-oxazole?
ethyl 5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazole-3-carboxylate;1,2-oxazole has a molecular weight of 379.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazole-3-carboxylate;1,2-oxazole is sourced from PubChem (CID 67835428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).