4-chloro-6-propan-2-yl-1,3-benzoxazole

C10H10ClNO — CID 137430290

IUPAC4-chloro-6-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1cc(Cl)c2ncoc2c1
InChIInChI=1S/C10H10ClNO/c1-6(2)7-3-8(11)10-9(4-7)13-5-12-10/h3-6H,1-2H3
InChIKeyISVQZFHVGYPRBZ-UHFFFAOYSA-N
MW195.65 g/mol
LogP3.60
Rot. Bonds1

About 4-chloro-6-propan-2-yl-1,3-benzoxazole

4-chloro-6-propan-2-yl-1,3-benzoxazole (PubChem CID 137430290) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 4-chloro-6-propan-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name4-chloro-6-propan-2-yl-1,3-benzoxazole
PubChem CID137430290
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name4-chloro-6-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1cc(Cl)c2ncoc2c1
InChIInChI=1S/C10H10ClNO/c1-6(2)7-3-8(11)10-9(4-7)13-5-12-10/h3-6H,1-2H3
InChIKeyISVQZFHVGYPRBZ-UHFFFAOYSA-N
XLogP3.60
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-di(propan-2-yl)-1,3-benzoxazole
CID 126625095
6-bromo-4-chloro-1,3-benzoxazole
CID 82095374
4-chloro-6-ethyl-1,3-benzoxazole
CID 155002998
6-propan-2-yl-1,3-benzoxazole
CID 21354846
4-chloro-6-propan-2-yl-1H-benzimidazole
CID 137430140
1,2,3-trichloro-5-propan-2-ylbenzene
CID 20811691
8-chloro-4-fluoro-6-propan-2-ylquinoline
CID 137438690
4,6-dimethyl-1,3-benzoxazole
CID 19990338
4-chloro-6-propan-2-yl-1,3-benzodioxole
CID 58332059
4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine
CID 122697307
7-chloro-5-propan-2-yl-1-benzofuran
CID 129148915
2-tert-butyl-1-chloro-3-methyl-5-propan-2-ylbenzene
CID 139403950

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propan-2-yl-1,3-benzoxazole?
The IUPAC name of 4-chloro-6-propan-2-yl-1,3-benzoxazole (CID 137430290) is 4-chloro-6-propan-2-yl-1,3-benzoxazole.
What is the SMILES notation for 4-chloro-6-propan-2-yl-1,3-benzoxazole?
The canonical SMILES for 4-chloro-6-propan-2-yl-1,3-benzoxazole is CC(C)c1cc(Cl)c2ncoc2c1.
What is the InChIKey of 4-chloro-6-propan-2-yl-1,3-benzoxazole?
The InChIKey is ISVQZFHVGYPRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-6(2)7-3-8(11)10-9(4-7)13-5-12-10/h3-6H,1-2H3.
What are the key properties of 4-chloro-6-propan-2-yl-1,3-benzoxazole?
4-chloro-6-propan-2-yl-1,3-benzoxazole has a molecular weight of 195.65 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 137430290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).