N-[(4-chloro-3-methylphenyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C17H16ClN3O2 — CID 167941876

IUPACN-[(4-chloro-3-methylphenyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(Cl)c(C)c2)c2c(C)noc2n1
InChIInChI=1S/C17H16ClN3O2/c1-9-6-12(4-5-14(9)18)8-19-16(22)13-7-10(2)20-17-15(13)11(3)21-23-17/h4-7H,8H2,1-3H3,(H,19,22)
InChIKeyZJCWHQJQLNMRNP-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.73
Rot. Bonds3

About N-[(4-chloro-3-methylphenyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[(4-chloro-3-methylphenyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 167941876) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-[(4-chloro-3-methylphenyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-3-methylphenyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID167941876
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN-[(4-chloro-3-methylphenyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(Cl)c(C)c2)c2c(C)noc2n1
InChIInChI=1S/C17H16ClN3O2/c1-9-6-12(4-5-14(9)18)8-19-16(22)13-7-10(2)20-17-15(13)11(3)21-23-17/h4-7H,8H2,1-3H3,(H,19,22)
InChIKeyZJCWHQJQLNMRNP-UHFFFAOYSA-N
XLogP3.73
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-5-ylmethyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71895516
3,6-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71898052
3,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 60735807
4-[4-[[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119247236
N'-(2,5-dichlorobenzoyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 26062148
3,6-dimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 87005260
N-[[2-(methoxymethyl)phenyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 32605719
N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95761796
N-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 115612894
N-(5-hydroxypentyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 107318381
N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 107261244
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 24609308

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methylphenyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(4-chloro-3-methylphenyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 167941876) is N-[(4-chloro-3-methylphenyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-chloro-3-methylphenyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-chloro-3-methylphenyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCc2ccc(Cl)c(C)c2)c2c(C)noc2n1.
What is the InChIKey of N-[(4-chloro-3-methylphenyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZJCWHQJQLNMRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-9-6-12(4-5-14(9)18)8-19-16(22)13-7-10(2)20-17-15(13)11(3)21-23-17/h4-7H,8H2,1-3H3,(H,19,22).
What are the key properties of N-[(4-chloro-3-methylphenyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(4-chloro-3-methylphenyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methylphenyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 167941876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).