2-cyclopentyl-6-piperazin-1-yl-1,3-benzoxazole

C16H21N3O — CID 94979311

IUPAC2-cyclopentyl-6-piperazin-1-yl-1,3-benzoxazole
SMILESc1cc2nc(C3CCCC3)oc2cc1N1CCNCC1
InChIInChI=1S/C16H21N3O/c1-2-4-12(3-1)16-18-14-6-5-13(11-15(14)20-16)19-9-7-17-8-10-19/h5-6,11-12,17H,1-4,7-10H2
InChIKeySPEODQIGCNUAPC-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.89
Rot. Bonds2

About 2-cyclopentyl-6-piperazin-1-yl-1,3-benzoxazole

2-cyclopentyl-6-piperazin-1-yl-1,3-benzoxazole (PubChem CID 94979311) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-cyclopentyl-6-piperazin-1-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-cyclopentyl-6-piperazin-1-yl-1,3-benzoxazole
PubChem CID94979311
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-cyclopentyl-6-piperazin-1-yl-1,3-benzoxazole
SMILESc1cc2nc(C3CCCC3)oc2cc1N1CCNCC1
InChIInChI=1S/C16H21N3O/c1-2-4-12(3-1)16-18-14-6-5-13(11-15(14)20-16)19-9-7-17-8-10-19/h5-6,11-12,17H,1-4,7-10H2
InChIKeySPEODQIGCNUAPC-UHFFFAOYSA-N
XLogP2.89
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-1,3-benzoxazol-6-amine
CID 43117903
2-cyclopentyl-6-methoxy-1,3-benzoxazole
CID 146453926
2-cyclobutyl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole
CID 96612054
6-methyl-2-[(3S)-piperidin-3-yl]-1,3-benzoxazole
CID 51673597
1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-4-oxo-6-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxylic acid
CID 167276754
5-(1,4-diazepan-1-ylmethyl)-2-piperidin-4-yl-1,3-benzoxazole
CID 83949548
6-piperidin-1-yl-1,3-benzoxazol-2-amine
CID 11053104
1-(2-methyl-1-benzofuran-6-yl)piperazine
CID 82614048
ethyl 1-(2-cyclopentyl-1,3-benzoxazol-6-yl)-4-oxo-6-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxylate
CID 167277318
2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid
CID 54270263
4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1,3-benzoxazol-2-yl]piperidine-1-carboxylic acid
CID 170350336
2-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole
CID 82230661

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-piperazin-1-yl-1,3-benzoxazole?
The IUPAC name of 2-cyclopentyl-6-piperazin-1-yl-1,3-benzoxazole (CID 94979311) is 2-cyclopentyl-6-piperazin-1-yl-1,3-benzoxazole.
What is the SMILES notation for 2-cyclopentyl-6-piperazin-1-yl-1,3-benzoxazole?
The canonical SMILES for 2-cyclopentyl-6-piperazin-1-yl-1,3-benzoxazole is c1cc2nc(C3CCCC3)oc2cc1N1CCNCC1.
What is the InChIKey of 2-cyclopentyl-6-piperazin-1-yl-1,3-benzoxazole?
The InChIKey is SPEODQIGCNUAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-4-12(3-1)16-18-14-6-5-13(11-15(14)20-16)19-9-7-17-8-10-19/h5-6,11-12,17H,1-4,7-10H2.
What are the key properties of 2-cyclopentyl-6-piperazin-1-yl-1,3-benzoxazole?
2-cyclopentyl-6-piperazin-1-yl-1,3-benzoxazole has a molecular weight of 271.36 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-piperazin-1-yl-1,3-benzoxazole is sourced from PubChem (CID 94979311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).