N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-cyclopentyl-4-fluorobenzamide

C20H18ClFN2O2 — CID 92762384

IUPACN-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-cyclopentyl-4-fluorobenzamide
SMILESO=C(c1ccc(F)cc1)N(Cc1nc2cc(Cl)ccc2o1)C1CCCC1
InChIInChI=1S/C20H18ClFN2O2/c21-14-7-10-18-17(11-14)23-19(26-18)12-24(16-3-1-2-4-16)20(25)13-5-8-15(22)9-6-13/h5-11,16H,1-4,12H2
InChIKeyXOVBZRMYIGQNPR-UHFFFAOYSA-N
MW372.83 g/mol
LogP5.21
Rot. Bonds4

About N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-cyclopentyl-4-fluorobenzamide

N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-cyclopentyl-4-fluorobenzamide (PubChem CID 92762384) has the molecular formula C20H18ClFN2O2 and a molecular weight of 372.83 g/mol. Its IUPAC name is N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-cyclopentyl-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-cyclopentyl-4-fluorobenzamide
PubChem CID92762384
Molecular FormulaC20H18ClFN2O2
Molecular Weight372.83 g/mol
Exact Mass372.10
IUPAC NameN-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-cyclopentyl-4-fluorobenzamide
SMILESO=C(c1ccc(F)cc1)N(Cc1nc2cc(Cl)ccc2o1)C1CCCC1
InChIInChI=1S/C20H18ClFN2O2/c21-14-7-10-18-17(11-14)23-19(26-18)12-24(16-3-1-2-4-16)20(25)13-5-8-15(22)9-6-13/h5-11,16H,1-4,12H2
InChIKeyXOVBZRMYIGQNPR-UHFFFAOYSA-N
XLogP5.21
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.83
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-3,5-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 46100598
N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-3,4-difluorobenzamide
CID 46099551
N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-fluorobenzamide
CID 46099550
5-chloro-2-(cyclohexylmethyl)-1,3-benzoxazole
CID 10538608
4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46099622
N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869
4-chloro-N-[(2-chloroquinolin-3-yl)methyl]-N-cyclohexylbenzamide
CID 42706466
5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
CID 23852983
N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide
CID 102873060
6-chloro-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
CID 46099567
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentyl-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 143591041
2-[(4-chlorophenyl)methyl]-N-[[(2R)-oxan-2-yl]methyl]-1,3-benzoxazole-5-carboxamide
CID 25458503

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-cyclopentyl-4-fluorobenzamide?
The IUPAC name of N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-cyclopentyl-4-fluorobenzamide (CID 92762384) is N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-cyclopentyl-4-fluorobenzamide.
What is the SMILES notation for N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-cyclopentyl-4-fluorobenzamide?
The canonical SMILES for N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-cyclopentyl-4-fluorobenzamide is O=C(c1ccc(F)cc1)N(Cc1nc2cc(Cl)ccc2o1)C1CCCC1.
What is the InChIKey of N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-cyclopentyl-4-fluorobenzamide?
The InChIKey is XOVBZRMYIGQNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O2/c21-14-7-10-18-17(11-14)23-19(26-18)12-24(16-3-1-2-4-16)20(25)13-5-8-15(22)9-6-13/h5-11,16H,1-4,12H2.
What are the key properties of N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-cyclopentyl-4-fluorobenzamide?
N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-cyclopentyl-4-fluorobenzamide has a molecular weight of 372.83 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-cyclopentyl-4-fluorobenzamide is sourced from PubChem (CID 92762384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).