2-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol

C13H12ClNO2 — CID 115066484

IUPAC2-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol
SMILESOC1CCc2nc(-c3cccc(Cl)c3)oc2C1
InChIInChI=1S/C13H12ClNO2/c14-9-3-1-2-8(6-9)13-15-11-5-4-10(16)7-12(11)17-13/h1-3,6,10,16H,4-5,7H2
InChIKeyMHOQDDPMPSHMSR-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.84
Rot. Bonds1

About 2-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol

2-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol (PubChem CID 115066484) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol
PubChem CID115066484
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name2-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol
SMILESOC1CCc2nc(-c3cccc(Cl)c3)oc2C1
InChIInChI=1S/C13H12ClNO2/c14-9-3-1-2-8(6-9)13-15-11-5-4-10(16)7-12(11)17-13/h1-3,6,10,16H,4-5,7H2
InChIKeyMHOQDDPMPSHMSR-UHFFFAOYSA-N
XLogP2.84
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine
CID 115066506
2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol
CID 115066575
[2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine
CID 115066542
[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine
CID 115066018
2-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol
CID 117128570
2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carboxylic acid
CID 12519915
6-(3-chlorophenyl)-[1,3]dioxolo[4,5-f][1,3]benzoxazole
CID 140533892
5-chloro-2-(3-chlorophenyl)-1,3-oxazole-4-carbaldehyde
CID 102261451
methyl 4-tert-butyl-2-(3-chlorophenyl)-1,3-oxazole-5-carboxylate
CID 114371007
2-[2-(3-chlorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]pyridine-3-carbonitrile
CID 46932863
5-chloro-2-(3-chlorophenyl)-7-methyl-[1,3]oxazolo[5,4-d]pyrimidine
CID 139231572
2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
CID 166583056

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol?
The IUPAC name of 2-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol (CID 115066484) is 2-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol?
The canonical SMILES for 2-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol is OC1CCc2nc(-c3cccc(Cl)c3)oc2C1.
What is the InChIKey of 2-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol?
The InChIKey is MHOQDDPMPSHMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c14-9-3-1-2-8(6-9)13-15-11-5-4-10(16)7-12(11)17-13/h1-3,6,10,16H,4-5,7H2.
What are the key properties of 2-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol?
2-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol has a molecular weight of 249.70 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol is sourced from PubChem (CID 115066484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).