N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C18H23N3O5 — CID 91765324

IUPACN-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)c(=O)[nH]1
InChIInChI=1S/C18H23N3O5/c1-10-4-5-13(17(22)19-10)18(23)20-15-6-7-24-9-16(15)25-8-14-11(2)21-26-12(14)3/h4-5,15-16H,6-9H2,1-3H3,(H,19,22)(H,20,23)/t15-,16-/m1/s1
InChIKeyXAOLFAZBJSQPLQ-HZPDHXFCSA-N
MW361.40 g/mol
LogP1.39
Rot. Bonds5

About N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 91765324) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID91765324
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC NameN-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)c(=O)[nH]1
InChIInChI=1S/C18H23N3O5/c1-10-4-5-13(17(22)19-10)18(23)20-15-6-7-24-9-16(15)25-8-14-11(2)21-26-12(14)3/h4-5,15-16H,6-9H2,1-3H3,(H,19,22)(H,20,23)/t15-,16-/m1/s1
InChIKeyXAOLFAZBJSQPLQ-HZPDHXFCSA-N
XLogP1.39
TPSA106.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 91765324) is N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)c(=O)[nH]1.
What is the InChIKey of N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XAOLFAZBJSQPLQ-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-10-4-5-13(17(22)19-10)18(23)20-15-6-7-24-9-16(15)25-8-14-11(2)21-26-12(14)3/h4-5,15-16H,6-9H2,1-3H3,(H,19,22)(H,20,23)/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91765324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).