N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide

C17H25N3O3 — CID 97364558

IUPACN-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)N[C@@H]1CN(C2CCC2)C[C@@H]2CCCO[C@@H]21
InChIInChI=1S/C17H25N3O3/c1-11-14(8-18-23-11)17(21)19-15-10-20(13-5-2-6-13)9-12-4-3-7-22-16(12)15/h8,12-13,15-16H,2-7,9-10H2,1H3,(H,19,21)/t12-,15+,16-/m0/s1
InChIKeyDIAPMPFUYMTFCZ-MAZHCROVSA-N
MW319.40 g/mol
LogP1.74
Rot. Bonds3

About N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide

N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 97364558) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID97364558
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)N[C@@H]1CN(C2CCC2)C[C@@H]2CCCO[C@@H]21
InChIInChI=1S/C17H25N3O3/c1-11-14(8-18-23-11)17(21)19-15-10-20(13-5-2-6-13)9-12-4-3-7-22-16(12)15/h8,12-13,15-16H,2-7,9-10H2,1H3,(H,19,21)/t12-,15+,16-/m0/s1
InChIKeyDIAPMPFUYMTFCZ-MAZHCROVSA-N
XLogP1.74
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide (CID 97364558) is N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)N[C@@H]1CN(C2CCC2)C[C@@H]2CCCO[C@@H]21.
What is the InChIKey of N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is DIAPMPFUYMTFCZ-MAZHCROVSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11-14(8-18-23-11)17(21)19-15-10-20(13-5-2-6-13)9-12-4-3-7-22-16(12)15/h8,12-13,15-16H,2-7,9-10H2,1H3,(H,19,21)/t12-,15+,16-/m0/s1.
What are the key properties of N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aS,8R,8aS)-6-cyclobutyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 97364558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).