6-chloro-2-(2,2-dimethylpropyl)-5-methyl-1,3-benzoxazole

C13H16ClNO — CID 82231776

IUPAC6-chloro-2-(2,2-dimethylpropyl)-5-methyl-1,3-benzoxazole
SMILESCc1cc2nc(CC(C)(C)C)oc2cc1Cl
InChIInChI=1S/C13H16ClNO/c1-8-5-10-11(6-9(8)14)16-12(15-10)7-13(2,3)4/h5-6H,7H2,1-4H3
InChIKeyNRFWHHHEMWNEGS-UHFFFAOYSA-N
MW237.73 g/mol
LogP4.38
Rot. Bonds1

About 6-chloro-2-(2,2-dimethylpropyl)-5-methyl-1,3-benzoxazole

6-chloro-2-(2,2-dimethylpropyl)-5-methyl-1,3-benzoxazole (PubChem CID 82231776) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 6-chloro-2-(2,2-dimethylpropyl)-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-chloro-2-(2,2-dimethylpropyl)-5-methyl-1,3-benzoxazole
PubChem CID82231776
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name6-chloro-2-(2,2-dimethylpropyl)-5-methyl-1,3-benzoxazole
SMILESCc1cc2nc(CC(C)(C)C)oc2cc1Cl
InChIInChI=1S/C13H16ClNO/c1-8-5-10-11(6-9(8)14)16-12(15-10)7-13(2,3)4/h5-6H,7H2,1-4H3
InChIKeyNRFWHHHEMWNEGS-UHFFFAOYSA-N
XLogP4.38
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-chloro-2-(2,2-dimethylpropyl)-5-methyl-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-(2,2-dimethylpropyl)-5-fluoro-1,3-benzoxazole
CID 82231943
1-(6-chloro-5-methyl-1,3-benzoxazol-2-yl)-N-methylmethanamine
CID 82230581
5-chloro-2-(2,2-dimethylpropyl)-1,3-benzoxazol-6-amine
CID 115539596
3-(6-chloro-5-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 82231160
2-(2,2-dimethylpropyl)-5,6-difluoro-1,3-benzoxazole
CID 82231164
6-chloro-5-methyl-2-propan-2-yl-1,3-benzoxazole
CID 82230552
(5,6-dimethyl-1,3-benzoxazol-2-yl)methanesulfinic acid
CID 174492351
N-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 82720453
5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole
CID 118683714
3-(5,6-dichloro-1,3-benzoxazol-2-yl)propan-1-amine
CID 82232079
6-chloro-2-(3-ethyl-4-pyridinyl)-5-methyl-1,3-benzoxazole
CID 58148222
7-bromo-2-(2,2-dimethylpropyl)-4,6-dimethyl-1,3-benzoxazole
CID 82233986

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,2-dimethylpropyl)-5-methyl-1,3-benzoxazole?
The IUPAC name of 6-chloro-2-(2,2-dimethylpropyl)-5-methyl-1,3-benzoxazole (CID 82231776) is 6-chloro-2-(2,2-dimethylpropyl)-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 6-chloro-2-(2,2-dimethylpropyl)-5-methyl-1,3-benzoxazole?
The canonical SMILES for 6-chloro-2-(2,2-dimethylpropyl)-5-methyl-1,3-benzoxazole is Cc1cc2nc(CC(C)(C)C)oc2cc1Cl.
What is the InChIKey of 6-chloro-2-(2,2-dimethylpropyl)-5-methyl-1,3-benzoxazole?
The InChIKey is NRFWHHHEMWNEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-8-5-10-11(6-9(8)14)16-12(15-10)7-13(2,3)4/h5-6H,7H2,1-4H3.
What are the key properties of 6-chloro-2-(2,2-dimethylpropyl)-5-methyl-1,3-benzoxazole?
6-chloro-2-(2,2-dimethylpropyl)-5-methyl-1,3-benzoxazole has a molecular weight of 237.73 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,2-dimethylpropyl)-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 82231776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).