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

C14H14ClNO2 — CID 115066177

IUPAC2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-ol
SMILESOC1CCc2oc(Cc3ccccc3Cl)nc2C1
InChIInChI=1S/C14H14ClNO2/c15-11-4-2-1-3-9(11)7-14-16-12-8-10(17)5-6-13(12)18-14/h1-4,10,17H,5-8H2
InChIKeySHANELDFSPMWQX-UHFFFAOYSA-N
MW263.72 g/mol
LogP2.77
Rot. Bonds2

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

2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-ol (PubChem CID 115066177) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-ol
PubChem CID115066177
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-ol
SMILESOC1CCc2oc(Cc3ccccc3Cl)nc2C1
InChIInChI=1S/C14H14ClNO2/c15-11-4-2-1-3-9(11)7-14-16-12-8-10(17)5-6-13(12)18-14/h1-4,10,17H,5-8H2
InChIKeySHANELDFSPMWQX-UHFFFAOYSA-N
XLogP2.77
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol
CID 115066575
4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63349683
N-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62137769
2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
CID 115066207
2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976349
5-[(2-chlorophenyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide
CID 22431938
2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde
CID 115086804
2-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol
CID 115066484
3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
CID 117150317
2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole-5-carboxylic acid
CID 82293582
1-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]propan-2-ol
CID 115086793
2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-4-yl]propan-1-ol
CID 115083926

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-ol?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-ol (CID 115066177) is 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-ol.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-ol?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-ol is OC1CCc2oc(Cc3ccccc3Cl)nc2C1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-ol?
The InChIKey is SHANELDFSPMWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c15-11-4-2-1-3-9(11)7-14-16-12-8-10(17)5-6-13(12)18-14/h1-4,10,17H,5-8H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-ol?
2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-ol has a molecular weight of 263.72 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-ol is sourced from PubChem (CID 115066177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).