N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide

C23H21N3O4 — CID 92713031

IUPACN-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide
SMILESCC(=O)N1N=C(c2ccc(C)o2)O[C@H]1c1ccc(NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H21N3O4/c1-14-4-7-17(8-5-14)21(28)24-19-11-9-18(10-12-19)23-26(16(3)27)25-22(30-23)20-13-6-15(2)29-20/h4-13,23H,1-3H3,(H,24,28)/t23-/m0/s1
InChIKeySCTBCVNLOOUBEG-QHCPKHFHSA-N
MW403.44 g/mol
LogP4.39
Rot. Bonds4

About N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide

N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide (PubChem CID 92713031) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide
PubChem CID92713031
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide
SMILESCC(=O)N1N=C(c2ccc(C)o2)O[C@H]1c1ccc(NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H21N3O4/c1-14-4-7-17(8-5-14)21(28)24-19-11-9-18(10-12-19)23-26(16(3)27)25-22(30-23)20-13-6-15(2)29-20/h4-13,23H,1-3H3,(H,24,28)/t23-/m0/s1
InChIKeySCTBCVNLOOUBEG-QHCPKHFHSA-N
XLogP4.39
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-2-chlorobenzamide
CID 92713011
1-[(2R)-2,5-bis(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 752951
4-(5-methylfuran-2-yl)-N-(4-methylphenyl)benzamide
CID 7463717
N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide
CID 53020463
[2-[3-acetyl-5-[4-[(4-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-2-yl]-4-methoxyphenyl] acetate
CID 46352200
1-[(2R)-2-(4-methylphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 53465288
[1-[(2R)-3-acetyl-2-[4-[(3-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate
CID 92713026
[2-[3-acetyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]-4-nitrophenyl] acetate
CID 46352353
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-[4-[(2R)-3-acetyl-2-(2-hydroxy-3-prop-2-enylphenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]-4-chlorobenzamide
CID 95053061
[1-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]naphthalen-2-yl] acetate
CID 92712729
4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 47341998

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide (CID 92713031) is N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide is CC(=O)N1N=C(c2ccc(C)o2)O[C@H]1c1ccc(NC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide?
The InChIKey is SCTBCVNLOOUBEG-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-14-4-7-17(8-5-14)21(28)24-19-11-9-18(10-12-19)23-26(16(3)27)25-22(30-23)20-13-6-15(2)29-20/h4-13,23H,1-3H3,(H,24,28)/t23-/m0/s1.
What are the key properties of N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide?
N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide has a molecular weight of 403.44 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 92713031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).