5-chloro-2-methyl-1,3-benzoxazole

C8H6ClNO — CID 29510

IUPAC5-chloro-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C8H6ClNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChIKeyHJCIGAUHTJBHBQ-UHFFFAOYSA-N
MW167.59 g/mol
LogP2.79
Rot. Bonds

About 5-chloro-2-methyl-1,3-benzoxazole

5-chloro-2-methyl-1,3-benzoxazole (PubChem CID 29510) has the molecular formula C8H6ClNO and a molecular weight of 167.59 g/mol. Its IUPAC name is 5-chloro-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-methyl-1,3-benzoxazole
PubChem CID29510
Molecular FormulaC8H6ClNO
Molecular Weight167.59 g/mol
Exact Mass167.01
IUPAC Name5-chloro-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C8H6ClNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChIKeyHJCIGAUHTJBHBQ-UHFFFAOYSA-N
XLogP2.79
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1,3-benzoxazol-5-ol
CID 10888073
2-methyl-1,3-benzoxazole-5-thiol
CID 83529189
5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
CID 827452
5-chloro-2-(1-chloroethyl)-1,3-benzoxazole
CID 43115623
2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 69227449
N-(2,4-dichlorophenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110388057
4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 25474421
5-chloro-2-propan-2-ylsulfanyl-1,3-benzoxazole
CID 11310720
ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 145041643
ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 176938802
2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane
CID 143414521
(2-methyl-1,3-benzoxazol-5-yl) 5-chloro-2-methoxybenzenesulfonate
CID 110504507

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-methyl-1,3-benzoxazole (CID 29510) is 5-chloro-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-methyl-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-methyl-1,3-benzoxazole is Cc1nc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-2-methyl-1,3-benzoxazole?
The InChIKey is HJCIGAUHTJBHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3.
What are the key properties of 5-chloro-2-methyl-1,3-benzoxazole?
5-chloro-2-methyl-1,3-benzoxazole has a molecular weight of 167.59 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 29510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).