N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide

C20H16N4O4 — CID 167938038

IUPACN-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1c(CNC(=O)c2cccc(-c3noc(=O)[nH]3)c2)noc1-c1ccccc1
InChIInChI=1S/C20H16N4O4/c1-12-16(23-27-17(12)13-6-3-2-4-7-13)11-21-19(25)15-9-5-8-14(10-15)18-22-20(26)28-24-18/h2-10H,11H2,1H3,(H,21,25)(H,22,24,26)
InChIKeyZSYHHDRVCIQIFU-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.92
Rot. Bonds5

About N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide

N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 167938038) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide
PubChem CID167938038
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC NameN-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1c(CNC(=O)c2cccc(-c3noc(=O)[nH]3)c2)noc1-c1ccccc1
InChIInChI=1S/C20H16N4O4/c1-12-16(23-27-17(12)13-6-3-2-4-7-13)11-21-19(25)15-9-5-8-14(10-15)18-22-20(26)28-24-18/h2-10H,11H2,1H3,(H,21,25)(H,22,24,26)
InChIKeyZSYHHDRVCIQIFU-UHFFFAOYSA-N
XLogP2.92
TPSA114.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 166330669
3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide
CID 166302069
2-cyano-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 166330628
N-[(3,5-difluorophenyl)methyl]-N'-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide
CID 167823701
3-(2-bromophenyl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide
CID 166330657
N'-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide
CID 166330645
4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylbenzamide
CID 167966446
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide
CID 91773131
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]benzamide
CID 167784128
N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973291
3-phenyl-N-prop-2-ynyl-2,1-benzoxazole-5-carboxamide
CID 18110112
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-phenylbenzamide
CID 110730367

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide (CID 167938038) is N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide is Cc1c(CNC(=O)c2cccc(-c3noc(=O)[nH]3)c2)noc1-c1ccccc1.
What is the InChIKey of N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is ZSYHHDRVCIQIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-12-16(23-27-17(12)13-6-3-2-4-7-13)11-21-19(25)15-9-5-8-14(10-15)18-22-20(26)28-24-18/h2-10H,11H2,1H3,(H,21,25)(H,22,24,26).
What are the key properties of N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide?
N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 376.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 167938038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).