(3aR,7aR)-N-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

C18H27N3O3 — CID 97362698

IUPAC(3aR,7aR)-N-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1
InChIInChI=1S/C18H27N3O3/c1-12-15(13(2)24-20-12)10-21-7-5-16-18(11-21,6-8-23-16)17(22)19-9-14-3-4-14/h14,16H,3-11H2,1-2H3,(H,19,22)/t16-,18-/m1/s1
InChIKeyJYCHKTPNXKGKEA-SJLPKXTDSA-N
MW333.43 g/mol
LogP1.80
Rot. Bonds5

About (3aR,7aR)-N-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

(3aR,7aR)-N-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 97362698) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (3aR,7aR)-N-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.

Molecular Properties

Compound Name(3aR,7aR)-N-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID97362698
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(3aR,7aR)-N-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1
InChIInChI=1S/C18H27N3O3/c1-12-15(13(2)24-20-12)10-21-7-5-16-18(11-21,6-8-23-16)17(22)19-9-14-3-4-14/h14,16H,3-11H2,1-2H3,(H,19,22)/t16-,18-/m1/s1
InChIKeyJYCHKTPNXKGKEA-SJLPKXTDSA-N
XLogP1.80
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aR,7aR)-N-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-N-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The IUPAC name of (3aR,7aR)-N-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (CID 97362698) is (3aR,7aR)-N-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.
What is the SMILES notation for (3aR,7aR)-N-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The canonical SMILES for (3aR,7aR)-N-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is Cc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1.
What is the InChIKey of (3aR,7aR)-N-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The InChIKey is JYCHKTPNXKGKEA-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-12-15(13(2)24-20-12)10-21-7-5-16-18(11-21,6-8-23-16)17(22)19-9-14-3-4-14/h14,16H,3-11H2,1-2H3,(H,19,22)/t16-,18-/m1/s1.
What are the key properties of (3aR,7aR)-N-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
(3aR,7aR)-N-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-N-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 97362698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).