3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol

C12H12ClNO2 — CID 115042364

IUPAC3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol
SMILESOCCCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H12ClNO2/c13-10-5-3-9(4-6-10)11-8-14-12(16-11)2-1-7-15/h3-6,8,15H,1-2,7H2
InChIKeyXWWRDSDLNMQBHQ-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.92
Rot. Bonds4

About 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol (PubChem CID 115042364) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol
PubChem CID115042364
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol
SMILESOCCCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H12ClNO2/c13-10-5-3-9(4-6-10)11-8-14-12(16-11)2-1-7-15/h3-6,8,15H,1-2,7H2
InChIKeyXWWRDSDLNMQBHQ-UHFFFAOYSA-N
XLogP2.92
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111109909
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]ethanol
CID 60686061
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]butan-1-ol
CID 65416210
3-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 82879725
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propane-1,2-diol
CID 79682966
2-(3-chloropropyl)-5-phenyl-1,3-oxazole
CID 10353470
3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol
CID 170887546
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103614
2-(3-chloropropyl)-5-(4-ethylphenyl)-1,3-oxazole
CID 65180183
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine;hydrate;hydrochloride
CID 21152472
3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 93186337

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol (CID 115042364) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol is OCCCc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol?
The InChIKey is XWWRDSDLNMQBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c13-10-5-3-9(4-6-10)11-8-14-12(16-11)2-1-7-15/h3-6,8,15H,1-2,7H2.
What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol?
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol has a molecular weight of 237.69 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol is sourced from PubChem (CID 115042364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).