N-[(2-chlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide

C15H17ClN2O2 — CID 110684647

IUPACN-[(2-chlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C(C)C)c(C(=O)NCc2ccccc2Cl)o1
InChIInChI=1S/C15H17ClN2O2/c1-9(2)13-14(20-10(3)18-13)15(19)17-8-11-6-4-5-7-12(11)16/h4-7,9H,8H2,1-3H3,(H,17,19)
InChIKeyWVAMRLSKWXZOPU-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.69
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide

N-[(2-chlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide (PubChem CID 110684647) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
PubChem CID110684647
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C(C)C)c(C(=O)NCc2ccccc2Cl)o1
InChIInChI=1S/C15H17ClN2O2/c1-9(2)13-14(20-10(3)18-13)15(19)17-8-11-6-4-5-7-12(11)16/h4-7,9H,8H2,1-3H3,(H,17,19)
InChIKeyWVAMRLSKWXZOPU-UHFFFAOYSA-N
XLogP3.69
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
CID 110680031
2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094410
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684651
1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
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N-[(2-chlorophenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691865
2-N-[(2-chlorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093646
N-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696299
2-chloro-N-[(2-chlorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378301
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide
CID 51471613
N-[(2-chlorophenyl)methyl]-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109328905
1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea
CID 23548600
2-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3766569

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide (CID 110684647) is N-[(2-chlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide is Cc1nc(C(C)C)c(C(=O)NCc2ccccc2Cl)o1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The InChIKey is WVAMRLSKWXZOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-9(2)13-14(20-10(3)18-13)15(19)17-8-11-6-4-5-7-12(11)16/h4-7,9H,8H2,1-3H3,(H,17,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
N-[(2-chlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110684647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).