[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol

C10H10ClNO2 — CID 14959502

IUPAC[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOCC1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C10H10ClNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-4,9,13H,5-6H2
InChIKeyFSRXLTYORJCHRR-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.83
Rot. Bonds2

About [3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol

[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 14959502) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID14959502
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOCC1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C10H10ClNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-4,9,13H,5-6H2
InChIKeyFSRXLTYORJCHRR-UHFFFAOYSA-N
XLogP1.83
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562090
1-(3-Phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethan-1-ol
CID 13307489
(5S)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562091
3-(4-Chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 59544954
3-(4-Chloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-5-ol
CID 2881161
Phosphonic acid, ((3-(4-chlorophenyl)-4,5-dihydro-5-isoxazolyl)methyl)-
CID 3079429
3-(4-Chlorophenyl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole
CID 71458653
3-Phenyl-5-hydroxymethylisoxazoline
CID 353147
5-(Chloromethyl)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 64159867
2-[(E)-1-(4-chlorophenyl)ethylideneamino]oxyethanol
CID 12385424
1-[(E)-1-(4-chlorophenyl)ethylideneamino]oxypropan-2-ol
CID 12385425
4-[(E)-1-(4-chlorophenyl)ethylideneamino]oxybutan-1-ol
CID 12385438

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol (CID 14959502) is [3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol is OCC1CC(c2ccc(Cl)cc2)=NO1.
What is the InChIKey of [3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is FSRXLTYORJCHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-4,9,13H,5-6H2.
What are the key properties of [3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 211.65 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 14959502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).