N-(5-chloro-2-pyridinyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide

C11H10ClN3O2 — CID 19589965

IUPACN-(5-chloro-2-pyridinyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(Cl)cn2)c1C
InChIInChI=1S/C11H10ClN3O2/c1-6-7(2)17-15-10(6)11(16)14-9-4-3-8(12)5-13-9/h3-5H,1-2H3,(H,13,14,16)
InChIKeyZUHKNDYZPDEGMT-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.59
Rot. Bonds2

About N-(5-chloro-2-pyridinyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide

N-(5-chloro-2-pyridinyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 19589965) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID19589965
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC NameN-(5-chloro-2-pyridinyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(Cl)cn2)c1C
InChIInChI=1S/C11H10ClN3O2/c1-6-7(2)17-15-10(6)11(16)14-9-4-3-8(12)5-13-9/h3-5H,1-2H3,(H,13,14,16)
InChIKeyZUHKNDYZPDEGMT-UHFFFAOYSA-N
XLogP2.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{4-[(5-Methyl-3-isoxazolyl)carbonyl]piperazino}nicotinonitrile
CID 2812130
3-(2-chlorophenyl)-5-methyl-N-(4-methylpyridin-2-yl)-1,2-oxazole-4-carboxamide
CID 798822
3,5-dimethyl-N-2-pyridinyl-4-isoxazolecarboxamide
CID 1244041
6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,8-naphthyridin-2-one
CID 135471215
(5-Methyl-1,2-oxazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 1245842
5-propan-2-yl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 137647050
N-(5-chloropyridin-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 700866
3-(2-chlorophenyl)-N-(5-chloropyridin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 743807
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(hydrazinocarbonyl)-5-methyl-4-isoxazolecarboxamide
CID 2773876
3-(2-chlorophenyl)-5-methyl-N-(5-methylpyridin-2-yl)-1,2-oxazole-4-carboxamide
CID 743805
5-chloro-N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[2-(methylamino)propanoylamino]-2-pyridinyl]pyridine-2-carboxamide
CID 117903061
N~4~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-3,4-isoxazoledicarboxamide
CID 4564320

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide (CID 19589965) is N-(5-chloro-2-pyridinyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2ccc(Cl)cn2)c1C.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZUHKNDYZPDEGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-6-7(2)17-15-10(6)11(16)14-9-4-3-8(12)5-13-9/h3-5H,1-2H3,(H,13,14,16).
What are the key properties of N-(5-chloro-2-pyridinyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
N-(5-chloro-2-pyridinyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 251.67 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19589965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).