1-(3-fluorophenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclobutane-1-carboxamide

C21H21FN2O2 — CID 55620281

IUPAC1-(3-fluorophenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclobutane-1-carboxamide
SMILESCC(C)c1nc2cc(NC(=O)C3(c4cccc(F)c4)CCC3)ccc2o1
InChIInChI=1S/C21H21FN2O2/c1-13(2)19-24-17-12-16(7-8-18(17)26-19)23-20(25)21(9-4-10-21)14-5-3-6-15(22)11-14/h3,5-8,11-13H,4,9-10H2,1-2H3,(H,23,25)
InChIKeyWDDBNVZSNVUQNQ-UHFFFAOYSA-N
MW352.41 g/mol
LogP5.15
Rot. Bonds4

About 1-(3-fluorophenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclobutane-1-carboxamide

1-(3-fluorophenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclobutane-1-carboxamide (PubChem CID 55620281) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclobutane-1-carboxamide
PubChem CID55620281
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name1-(3-fluorophenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclobutane-1-carboxamide
SMILESCC(C)c1nc2cc(NC(=O)C3(c4cccc(F)c4)CCC3)ccc2o1
InChIInChI=1S/C21H21FN2O2/c1-13(2)19-24-17-12-16(7-8-18(17)26-19)23-20(25)21(9-4-10-21)14-5-3-6-15(22)11-14/h3,5-8,11-13H,4,9-10H2,1-2H3,(H,23,25)
InChIKeyWDDBNVZSNVUQNQ-UHFFFAOYSA-N
XLogP5.15
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.41
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516
1-(3-fluorophenyl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]cyclopropane-1-carboxamide
CID 86963542
2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 60843076
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401870
1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 31779380
1-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
CID 22587200
1-(3-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclobutane-1-carboxamide
CID 51113892
N-[3-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 55742350
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 46416382
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-azaspiro[3.4]octane-3-carboxamide
CID 167806781
4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide
CID 60582036

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclobutane-1-carboxamide (CID 55620281) is 1-(3-fluorophenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclobutane-1-carboxamide is CC(C)c1nc2cc(NC(=O)C3(c4cccc(F)c4)CCC3)ccc2o1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclobutane-1-carboxamide?
The InChIKey is WDDBNVZSNVUQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-13(2)19-24-17-12-16(7-8-18(17)26-19)23-20(25)21(9-4-10-21)14-5-3-6-15(22)11-14/h3,5-8,11-13H,4,9-10H2,1-2H3,(H,23,25).
What are the key properties of 1-(3-fluorophenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclobutane-1-carboxamide?
1-(3-fluorophenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclobutane-1-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 55620281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).