6,7-dichloro-2-cyclopentyl-1,3-benzoxazole

C12H11Cl2NO — CID 82232727

IUPAC6,7-dichloro-2-cyclopentyl-1,3-benzoxazole
SMILESClc1ccc2nc(C3CCCC3)oc2c1Cl
InChIInChI=1S/C12H11Cl2NO/c13-8-5-6-9-11(10(8)14)16-12(15-9)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyMARDQZVOYYGVLN-UHFFFAOYSA-N
MW256.13 g/mol
LogP4.79
Rot. Bonds1

About 6,7-dichloro-2-cyclopentyl-1,3-benzoxazole

6,7-dichloro-2-cyclopentyl-1,3-benzoxazole (PubChem CID 82232727) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is 6,7-dichloro-2-cyclopentyl-1,3-benzoxazole.

Molecular Properties

Compound Name6,7-dichloro-2-cyclopentyl-1,3-benzoxazole
PubChem CID82232727
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name6,7-dichloro-2-cyclopentyl-1,3-benzoxazole
SMILESClc1ccc2nc(C3CCCC3)oc2c1Cl
InChIInChI=1S/C12H11Cl2NO/c13-8-5-6-9-11(10(8)14)16-12(15-9)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyMARDQZVOYYGVLN-UHFFFAOYSA-N
XLogP4.79
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine
CID 82231734
1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone
CID 82231282
2-cyclopentylfuro[3,4-d][1,3]oxazole-6-carbaldehyde
CID 82396380
7-chloro-2-cyclopropyl-5-nitro-1,3-benzoxazole
CID 122623661
5-bromo-2-cyclohexyl-7-fluoro-1,3-benzoxazole
CID 82234029
2-cyclopentyl-6-methoxy-1,3-benzoxazole
CID 146453926
2-cyclobutyl-1,3-benzoxazol-6-amine
CID 43117903
2-cyclohexyl-1,3-benzoxazol-5-amine
CID 770201
2-cyclopropyl-7-ethyl-1,3-benzoxazole
CID 82229837
2-chloro-5-cyclohexyl-1,3,4-oxadiazole
CID 82281079
2-cyclopentyl-7-ethyl-1,3-benzoxazol-5-amine
CID 82231333
7-chloro-2-[(2S)-pyrrolidin-2-yl]-1,3-benzoxazole
CID 83868118

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-cyclopentyl-1,3-benzoxazole?
The IUPAC name of 6,7-dichloro-2-cyclopentyl-1,3-benzoxazole (CID 82232727) is 6,7-dichloro-2-cyclopentyl-1,3-benzoxazole.
What is the SMILES notation for 6,7-dichloro-2-cyclopentyl-1,3-benzoxazole?
The canonical SMILES for 6,7-dichloro-2-cyclopentyl-1,3-benzoxazole is Clc1ccc2nc(C3CCCC3)oc2c1Cl.
What is the InChIKey of 6,7-dichloro-2-cyclopentyl-1,3-benzoxazole?
The InChIKey is MARDQZVOYYGVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c13-8-5-6-9-11(10(8)14)16-12(15-9)7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of 6,7-dichloro-2-cyclopentyl-1,3-benzoxazole?
6,7-dichloro-2-cyclopentyl-1,3-benzoxazole has a molecular weight of 256.13 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-cyclopentyl-1,3-benzoxazole is sourced from PubChem (CID 82232727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).