1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]ethanone

C12H10ClNO2 — CID 115093711

IUPAC1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1cnoc1Cc1cccc(Cl)c1
InChIInChI=1S/C12H10ClNO2/c1-8(15)11-7-14-16-12(11)6-9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3
InChIKeySZJIMKLZVUPWNZ-UHFFFAOYSA-N
MW235.67 g/mol
LogP3.12
Rot. Bonds3

About 1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]ethanone

1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]ethanone (PubChem CID 115093711) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]ethanone
PubChem CID115093711
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1cnoc1Cc1cccc(Cl)c1
InChIInChI=1S/C12H10ClNO2/c1-8(15)11-7-14-16-12(11)6-9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3
InChIKeySZJIMKLZVUPWNZ-UHFFFAOYSA-N
XLogP3.12
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]methanol
CID 115093698
1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone
CID 10705500
[2-[(3-chlorophenyl)methyl]-4-methylsulfinylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 54386377
1-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-one
CID 115091371
1-(3-chlorophenyl)propan-2-one
CID 2734097
1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]piperidin-4-amine
CID 117210033
acetic acid;(3-chlorophenyl)methanamine
CID 174881740
2-[(3-chlorophenyl)methyl]thiophene-3-carboxylic acid
CID 71775413
1-[2-amino-4-[(3-chlorophenyl)methyl-methylamino]phenyl]ethanone
CID 104528496
1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone
CID 103721743
1-[2-[(3-chlorophenyl)methyl]thiophen-3-yl]pentane-1,3,4-trione
CID 59961614
2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 71970414

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]ethanone?
The IUPAC name of 1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]ethanone (CID 115093711) is 1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]ethanone is CC(=O)c1cnoc1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]ethanone?
The InChIKey is SZJIMKLZVUPWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-8(15)11-7-14-16-12(11)6-9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3.
What are the key properties of 1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]ethanone?
1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]ethanone has a molecular weight of 235.67 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]ethanone is sourced from PubChem (CID 115093711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).