1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone

C12H12ClNO3 — CID 116826274

IUPAC1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
SMILESCOc1ccc(Cl)cc1C(=O)CC1=NCCO1
InChIInChI=1S/C12H12ClNO3/c1-16-11-3-2-8(13)6-9(11)10(15)7-12-14-4-5-17-12/h2-3,6H,4-5,7H2,1H3
InChIKeyWNMDVTCAUMOBKE-UHFFFAOYSA-N
MW253.68 g/mol
LogP2.35
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone

1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone (PubChem CID 116826274) has the molecular formula C12H12ClNO3 and a molecular weight of 253.68 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
PubChem CID116826274
Molecular FormulaC12H12ClNO3
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
SMILESCOc1ccc(Cl)cc1C(=O)CC1=NCCO1
InChIInChI=1S/C12H12ClNO3/c1-16-11-3-2-8(13)6-9(11)10(15)7-12-14-4-5-17-12/h2-3,6H,4-5,7H2,1H3
InChIKeyWNMDVTCAUMOBKE-UHFFFAOYSA-N
XLogP2.35
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 116826291
1-(3-chloro-4-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826272
2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 116826325
1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanone
CID 116826133
1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone
CID 114969178
2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 116826336
1-(5-chloro-2-methoxyphenyl)-3-(1,3-dioxolan-2-yl)propan-1-one
CID 58838303
2-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 12786641
2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 114964675
1-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974430
1-(5-chloro-2-methoxyphenyl)-2-pyridazin-3-ylethanone
CID 116832910
1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
CID 82078374

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone (CID 116826274) is 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone is COc1ccc(Cl)cc1C(=O)CC1=NCCO1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone?
The InChIKey is WNMDVTCAUMOBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c1-16-11-3-2-8(13)6-9(11)10(15)7-12-14-4-5-17-12/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone?
1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone has a molecular weight of 253.68 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone is sourced from PubChem (CID 116826274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).