1-[2-(3-chlorophenyl)-1,3-oxazol-5-yl]propan-2-ol

C12H12ClNO2 — CID 115087110

IUPAC1-[2-(3-chlorophenyl)-1,3-oxazol-5-yl]propan-2-ol
SMILESCC(O)Cc1cnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C12H12ClNO2/c1-8(15)5-11-7-14-12(16-11)9-3-2-4-10(13)6-9/h2-4,6-8,15H,5H2,1H3
InChIKeyBCHWIDJWVDVLKA-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.92
Rot. Bonds3

About 1-[2-(3-chlorophenyl)-1,3-oxazol-5-yl]propan-2-ol

1-[2-(3-chlorophenyl)-1,3-oxazol-5-yl]propan-2-ol (PubChem CID 115087110) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-1,3-oxazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-1,3-oxazol-5-yl]propan-2-ol
PubChem CID115087110
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name1-[2-(3-chlorophenyl)-1,3-oxazol-5-yl]propan-2-ol
SMILESCC(O)Cc1cnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C12H12ClNO2/c1-8(15)5-11-7-14-12(16-11)9-3-2-4-10(13)6-9/h2-4,6-8,15H,5H2,1H3
InChIKeyBCHWIDJWVDVLKA-UHFFFAOYSA-N
XLogP2.92
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chlorophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
CID 115087175
1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol
CID 115087326
1-[2-(5-chlorofuran-2-yl)-1,3-oxazol-5-yl]propan-2-ol
CID 115086467
1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-ol
CID 115086475
2-(3-chlorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,3-oxazole
CID 82666482
1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]propan-2-amine
CID 84700432
1-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol
CID 67322025
[5-(3-chlorophenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium
CID 7380206
1-[2-(3-methylphenyl)-1,3-oxazol-5-yl]ethanol
CID 115087082
(2R)-2-[[2-(3-chlorophenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
CID 166242585
3-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-2-methylpropan-1-ol
CID 111542528
2-(5-fluoro-2-pyridinyl)-5-[[3-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]methyl]-1,3-oxazole
CID 170144617

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-1,3-oxazol-5-yl]propan-2-ol?
The IUPAC name of 1-[2-(3-chlorophenyl)-1,3-oxazol-5-yl]propan-2-ol (CID 115087110) is 1-[2-(3-chlorophenyl)-1,3-oxazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-1,3-oxazol-5-yl]propan-2-ol?
The canonical SMILES for 1-[2-(3-chlorophenyl)-1,3-oxazol-5-yl]propan-2-ol is CC(O)Cc1cnc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 1-[2-(3-chlorophenyl)-1,3-oxazol-5-yl]propan-2-ol?
The InChIKey is BCHWIDJWVDVLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-8(15)5-11-7-14-12(16-11)9-3-2-4-10(13)6-9/h2-4,6-8,15H,5H2,1H3.
What are the key properties of 1-[2-(3-chlorophenyl)-1,3-oxazol-5-yl]propan-2-ol?
1-[2-(3-chlorophenyl)-1,3-oxazol-5-yl]propan-2-ol has a molecular weight of 237.69 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-1,3-oxazol-5-yl]propan-2-ol is sourced from PubChem (CID 115087110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).