2-(3-fluorophenyl)-N-[(1R,2S)-2-phenylcyclopropyl]-1,3-benzoxazole-5-carboxamide

C23H17FN2O2 — CID 26336754

IUPAC2-(3-fluorophenyl)-N-[(1R,2S)-2-phenylcyclopropyl]-1,3-benzoxazole-5-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc2oc(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C23H17FN2O2/c24-17-8-4-7-16(11-17)23-26-20-12-15(9-10-21(20)28-23)22(27)25-19-13-18(19)14-5-2-1-3-6-14/h1-12,18-19H,13H2,(H,25,27)/t18-,19+/m0/s1
InChIKeyXJOOXSMYLNHWQC-RBUKOAKNSA-N
MW372.40 g/mol
LogP4.92
Rot. Bonds4

About 2-(3-fluorophenyl)-N-[(1R,2S)-2-phenylcyclopropyl]-1,3-benzoxazole-5-carboxamide

2-(3-fluorophenyl)-N-[(1R,2S)-2-phenylcyclopropyl]-1,3-benzoxazole-5-carboxamide (PubChem CID 26336754) has the molecular formula C23H17FN2O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[(1R,2S)-2-phenylcyclopropyl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[(1R,2S)-2-phenylcyclopropyl]-1,3-benzoxazole-5-carboxamide
PubChem CID26336754
Molecular FormulaC23H17FN2O2
Molecular Weight372.40 g/mol
Exact Mass372.13
IUPAC Name2-(3-fluorophenyl)-N-[(1R,2S)-2-phenylcyclopropyl]-1,3-benzoxazole-5-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc2oc(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C23H17FN2O2/c24-17-8-4-7-16(11-17)23-26-20-12-15(9-10-21(20)28-23)22(27)25-19-13-18(19)14-5-2-1-3-6-14/h1-12,18-19H,13H2,(H,25,27)/t18-,19+/m0/s1
InChIKeyXJOOXSMYLNHWQC-RBUKOAKNSA-N
XLogP4.92
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-(4-methoxy-1-methylpyrrolidin-3-yl)-1,3-benzoxazole-5-carboxamide
CID 156605158
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(3-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 97280636
1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 82299125
2-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 42518502
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate
CID 21211890
1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propan-1-one
CID 82305496
3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-N-[(1R,2S)-2-phenylcyclopropyl]benzamide
CID 164589548
[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 162432808
4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23960249
4-fluoro-3-methyl-N-(2-phenylcyclopropyl)benzamide
CID 63213326
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methanone
CID 162432682

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[(1R,2S)-2-phenylcyclopropyl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[(1R,2S)-2-phenylcyclopropyl]-1,3-benzoxazole-5-carboxamide (CID 26336754) is 2-(3-fluorophenyl)-N-[(1R,2S)-2-phenylcyclopropyl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[(1R,2S)-2-phenylcyclopropyl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[(1R,2S)-2-phenylcyclopropyl]-1,3-benzoxazole-5-carboxamide is O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc2oc(-c3cccc(F)c3)nc2c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[(1R,2S)-2-phenylcyclopropyl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is XJOOXSMYLNHWQC-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H17FN2O2/c24-17-8-4-7-16(11-17)23-26-20-12-15(9-10-21(20)28-23)22(27)25-19-13-18(19)14-5-2-1-3-6-14/h1-12,18-19H,13H2,(H,25,27)/t18-,19+/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-N-[(1R,2S)-2-phenylcyclopropyl]-1,3-benzoxazole-5-carboxamide?
2-(3-fluorophenyl)-N-[(1R,2S)-2-phenylcyclopropyl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[(1R,2S)-2-phenylcyclopropyl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 26336754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).