N-[2-(4-chlorophenyl)ethyl]-1,2-oxazole-4-carboxamide

C12H11ClN2O2 — CID 110853437

IUPACN-[2-(4-chlorophenyl)ethyl]-1,2-oxazole-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cnoc1
InChIInChI=1S/C12H11ClN2O2/c13-11-3-1-9(2-4-11)5-6-14-12(16)10-7-15-17-8-10/h1-4,7-8H,5-6H2,(H,14,16)
InChIKeyXFQVKDBJSADHDJ-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.30
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-1,2-oxazole-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 110853437) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID110853437
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1,2-oxazole-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cnoc1
InChIInChI=1S/C12H11ClN2O2/c13-11-3-1-9(2-4-11)5-6-14-12(16)10-7-15-17-8-10/h1-4,7-8H,5-6H2,(H,14,16)
InChIKeyXFQVKDBJSADHDJ-UHFFFAOYSA-N
XLogP2.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 154511562
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9403209
N-[2-(4-chlorophenyl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853491
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103432
5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide
CID 109106595
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide
CID 17139039
N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide
CID 9217649

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1,2-oxazole-4-carboxamide (CID 110853437) is N-[2-(4-chlorophenyl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1,2-oxazole-4-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1cnoc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is XFQVKDBJSADHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-11-3-1-9(2-4-11)5-6-14-12(16)10-7-15-17-8-10/h1-4,7-8H,5-6H2,(H,14,16).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1,2-oxazole-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110853437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).