(3-chlorophenyl)-(1,3-oxazol-5-yl)methanone

C10H6ClNO2 — CID 162417493

IUPAC(3-chlorophenyl)-(1,3-oxazol-5-yl)methanone
SMILESO=C(c1cccc(Cl)c1)c1cnco1
InChIInChI=1S/C10H6ClNO2/c11-8-3-1-2-7(4-8)10(13)9-5-12-6-14-9/h1-6H
InChIKeyMACMGEJESCYUFL-UHFFFAOYSA-N
MW207.62 g/mol
LogP2.56
Rot. Bonds2

About (3-chlorophenyl)-(1,3-oxazol-5-yl)methanone

(3-chlorophenyl)-(1,3-oxazol-5-yl)methanone (PubChem CID 162417493) has the molecular formula C10H6ClNO2 and a molecular weight of 207.62 g/mol. Its IUPAC name is (3-chlorophenyl)-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(1,3-oxazol-5-yl)methanone
PubChem CID162417493
Molecular FormulaC10H6ClNO2
Molecular Weight207.62 g/mol
Exact Mass207.01
IUPAC Name(3-chlorophenyl)-(1,3-oxazol-5-yl)methanone
SMILESO=C(c1cccc(Cl)c1)c1cnco1
InChIInChI=1S/C10H6ClNO2/c11-8-3-1-2-7(4-8)10(13)9-5-12-6-14-9/h1-6H
InChIKeyMACMGEJESCYUFL-UHFFFAOYSA-N
XLogP2.56
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(3-aminophenyl)-(3-chlorophenyl)methanone
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(3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone
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(3-chlorophenyl)-(1,3-oxazol-5-yl)methanesulfonic acid
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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(1,3-oxazol-5-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(1,3-oxazol-5-yl)methanone (CID 162417493) is (3-chlorophenyl)-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(1,3-oxazol-5-yl)methanone is O=C(c1cccc(Cl)c1)c1cnco1.
What is the InChIKey of (3-chlorophenyl)-(1,3-oxazol-5-yl)methanone?
The InChIKey is MACMGEJESCYUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2/c11-8-3-1-2-7(4-8)10(13)9-5-12-6-14-9/h1-6H.
What are the key properties of (3-chlorophenyl)-(1,3-oxazol-5-yl)methanone?
(3-chlorophenyl)-(1,3-oxazol-5-yl)methanone has a molecular weight of 207.62 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 162417493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).