N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-2-carboxamide

C12H13N3O3 — CID 113229810

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-2-carboxamide
SMILESCc1nc(CNC(=O)c2ncccc2O)oc1C
InChIInChI=1S/C12H13N3O3/c1-7-8(2)18-10(15-7)6-14-12(17)11-9(16)4-3-5-13-11/h3-5,16H,6H2,1-2H3,(H,14,17)
InChIKeyJFCLUUCWHCMIIX-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.32
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-2-carboxamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-2-carboxamide (PubChem CID 113229810) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-2-carboxamide
PubChem CID113229810
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-2-carboxamide
SMILESCc1nc(CNC(=O)c2ncccc2O)oc1C
InChIInChI=1S/C12H13N3O3/c1-7-8(2)18-10(15-7)6-14-12(17)11-9(16)4-3-5-13-11/h3-5,16H,6H2,1-2H3,(H,14,17)
InChIKeyJFCLUUCWHCMIIX-UHFFFAOYSA-N
XLogP1.32
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103890358
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carbothioamide
CID 106372601
3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 47344966
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxamide
CID 114180640
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47345240
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 106377305
2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629822
4-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-sulfanylbenzamide
CID 106377769
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide
CID 106377771
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 47344961
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide
CID 47345026
2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106371582

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-2-carboxamide (CID 113229810) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-2-carboxamide is Cc1nc(CNC(=O)c2ncccc2O)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-2-carboxamide?
The InChIKey is JFCLUUCWHCMIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7-8(2)18-10(15-7)6-14-12(17)11-9(16)4-3-5-13-11/h3-5,16H,6H2,1-2H3,(H,14,17).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-2-carboxamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 113229810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).