N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

C25H23N3O3 — CID 9193125

IUPACN-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C25H23N3O3/c1-3-28(4-2)25(30)18-10-13-20(14-11-18)26-24(29)19-12-15-22-21(16-19)23(31-27-22)17-8-6-5-7-9-17/h5-16H,3-4H2,1-2H3,(H,26,29)
InChIKeySAAFTFCTQAOVIU-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.23
Rot. Bonds6

About N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 9193125) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID9193125
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C25H23N3O3/c1-3-28(4-2)25(30)18-10-13-20(14-11-18)26-24(29)19-12-15-22-21(16-19)23(31-27-22)17-8-6-5-7-9-17/h5-16H,3-4H2,1-2H3,(H,26,29)
InChIKeySAAFTFCTQAOVIU-UHFFFAOYSA-N
XLogP5.23
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465233
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 51205503
N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122298037
N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9191614
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9451735
3-phenyl-N-prop-2-ynyl-2,1-benzoxazole-5-carboxamide
CID 18110112
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 119101340
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 41274144
3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-2,1-benzoxazole-5-carboxamide
CID 122300728
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24564260
N-(3-cyanophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9192548

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 9193125) is N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is SAAFTFCTQAOVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-3-28(4-2)25(30)18-10-13-20(14-11-18)26-24(29)19-12-15-22-21(16-19)23(31-27-22)17-8-6-5-7-9-17/h5-16H,3-4H2,1-2H3,(H,26,29).
What are the key properties of N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 9193125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).