5-chloro-6-methoxy-3-phenyl-1,2-benzoxazole

C14H10ClNO2 — CID 15084637

IUPAC5-chloro-6-methoxy-3-phenyl-1,2-benzoxazole
SMILESCOc1cc2onc(-c3ccccc3)c2cc1Cl
InChIInChI=1S/C14H10ClNO2/c1-17-13-8-12-10(7-11(13)15)14(16-18-12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyHPLQUSGAWZSEDM-UHFFFAOYSA-N
MW259.69 g/mol
LogP4.16
Rot. Bonds2

About 5-chloro-6-methoxy-3-phenyl-1,2-benzoxazole

5-chloro-6-methoxy-3-phenyl-1,2-benzoxazole (PubChem CID 15084637) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 5-chloro-6-methoxy-3-phenyl-1,2-benzoxazole.

Molecular Properties

Compound Name5-chloro-6-methoxy-3-phenyl-1,2-benzoxazole
PubChem CID15084637
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name5-chloro-6-methoxy-3-phenyl-1,2-benzoxazole
SMILESCOc1cc2onc(-c3ccccc3)c2cc1Cl
InChIInChI=1S/C14H10ClNO2/c1-17-13-8-12-10(7-11(13)15)14(16-18-12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyHPLQUSGAWZSEDM-UHFFFAOYSA-N
XLogP4.16
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazole
CID 153492990
6-chloro-3-phenyl-1,2-benzoxazole;methanamine;prop-1-ene
CID 174369929
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1246987
3-chloro-5,6-dimethoxy-1,2-benzoxazole
CID 117273866
methanamine;methane;3-phenyl-1,2-benzoxazole
CID 175235324
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CID 878649
4-(3-methoxy-4-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 43336126
3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole
CID 59556655
5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 4544688
acetic acid;ethane;3-phenyl-1,2-benzoxazole
CID 143217944
2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 9162813
3-(5-methoxy-1,2-benzoxazol-3-yl)benzoic acid
CID 59828587

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methoxy-3-phenyl-1,2-benzoxazole?
The IUPAC name of 5-chloro-6-methoxy-3-phenyl-1,2-benzoxazole (CID 15084637) is 5-chloro-6-methoxy-3-phenyl-1,2-benzoxazole.
What is the SMILES notation for 5-chloro-6-methoxy-3-phenyl-1,2-benzoxazole?
The canonical SMILES for 5-chloro-6-methoxy-3-phenyl-1,2-benzoxazole is COc1cc2onc(-c3ccccc3)c2cc1Cl.
What is the InChIKey of 5-chloro-6-methoxy-3-phenyl-1,2-benzoxazole?
The InChIKey is HPLQUSGAWZSEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c1-17-13-8-12-10(7-11(13)15)14(16-18-12)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 5-chloro-6-methoxy-3-phenyl-1,2-benzoxazole?
5-chloro-6-methoxy-3-phenyl-1,2-benzoxazole has a molecular weight of 259.69 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methoxy-3-phenyl-1,2-benzoxazole is sourced from PubChem (CID 15084637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).