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

C11H10ClNO2 — CID 115093698

IUPAC[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]methanol
SMILESOCc1cnoc1Cc1cccc(Cl)c1
InChIInChI=1S/C11H10ClNO2/c12-10-3-1-2-8(4-10)5-11-9(7-14)6-13-15-11/h1-4,6,14H,5,7H2
InChIKeyIUVVYSVTQQHCKK-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.41
Rot. Bonds3

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

[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]methanol (PubChem CID 115093698) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is [5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]methanol
PubChem CID115093698
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]methanol
SMILESOCc1cnoc1Cc1cccc(Cl)c1
InChIInChI=1S/C11H10ClNO2/c12-10-3-1-2-8(4-10)5-11-9(7-14)6-13-15-11/h1-4,6,14H,5,7H2
InChIKeyIUVVYSVTQQHCKK-UHFFFAOYSA-N
XLogP2.41
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]ethanone
CID 115093711
[5-(3-chlorophenyl)-1,2-oxazol-4-yl]methanol
CID 22221442
[5-chloro-4-[(3-chlorophenyl)methyl]furan-2-yl]methanol
CID 118628444
1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]piperidin-4-amine
CID 117210033
[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol
CID 63757779
3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 62505666
1-[(3-chlorophenyl)methyl]naphthalene
CID 173131881
[3-[(3-chlorophenyl)methoxy]-4-pyridinyl]methanol
CID 105067190
5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine
CID 66629043
2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole
CID 63386452
[2-[(3-chlorophenyl)methyl]pyrimidin-5-yl]boronic acid
CID 159750594
(2R)-2-amino-2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 104915640

Frequently Asked Questions

What is the IUPAC name of [5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]methanol (CID 115093698) is [5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]methanol is OCc1cnoc1Cc1cccc(Cl)c1.
What is the InChIKey of [5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]methanol?
The InChIKey is IUVVYSVTQQHCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c12-10-3-1-2-8(4-10)5-11-9(7-14)6-13-15-11/h1-4,6,14H,5,7H2.
What are the key properties of [5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]methanol?
[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]methanol has a molecular weight of 223.66 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 115093698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).