N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide

C14H13ClN2O2 — CID 5308825

IUPACN-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C14H13ClN2O2/c1-8-10(15)3-2-4-11(8)16-14(18)12-7-13(19-17-12)9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,16,18)
InChIKeyRSHHCXUQBXPEND-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.77
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 5308825) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID5308825
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC NameN-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C14H13ClN2O2/c1-8-10(15)3-2-4-11(8)16-14(18)12-7-13(19-17-12)9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,16,18)
InChIKeyRSHHCXUQBXPEND-UHFFFAOYSA-N
XLogP3.77
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 40654834
5-cyclopropyl-N-(2-cyclopropyl-3-pyridinyl)-1,2-oxazole-3-carboxamide
CID 154778935
5-cyclopropyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 38507620
N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 17253336
5-cyclopropyl-N-(2-propoxyphenyl)-1,2-oxazole-3-carboxamide
CID 34345755
N-(2-cyclopentylsulfanylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 32560857
5-cyclopropyl-N-(4-oxo-1H-pyridin-3-yl)-1,2-oxazole-3-carboxamide
CID 71937067
5-cyclopropyl-N-(2,5-dimethylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
CID 60574068
N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188
N-(3-chloro-2-methylphenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319761
4-N-(3-chloro-2-methylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109092904
5-cyclopropyl-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 71800500

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 5308825) is N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is RSHHCXUQBXPEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-8-10(15)3-2-4-11(8)16-14(18)12-7-13(19-17-12)9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,16,18).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5308825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).