N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide

C20H16N4O3 — CID 90562094

IUPACN-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1noc(Cc2ccccc2NC(=O)c2cc(-c3ccccc3)on2)n1
InChIInChI=1S/C20H16N4O3/c1-13-21-19(27-23-13)11-15-9-5-6-10-16(15)22-20(25)17-12-18(26-24-17)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,22,25)
InChIKeyMPBFOFDMRCVHPS-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.88
Rot. Bonds5

About N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 90562094) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID90562094
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC NameN-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1noc(Cc2ccccc2NC(=O)c2cc(-c3ccccc3)on2)n1
InChIInChI=1S/C20H16N4O3/c1-13-21-19(27-23-13)11-15-9-5-6-10-16(15)22-20(25)17-12-18(26-24-17)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,22,25)
InChIKeyMPBFOFDMRCVHPS-UHFFFAOYSA-N
XLogP3.88
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-phenylbenzamide
CID 90562049
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazine-2-carboxamide
CID 90562098
2,4-dichloro-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562040
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 90561959
N-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide
CID 71800425
5-bromo-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carboxamide
CID 90562077
N-(2-ethylphenyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 5308609
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-methylphenyl)urea
CID 90562124
N-[2-(2-ethylanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51262131
1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 71800484
3,4,5-triethoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 71800437
(2R)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenylbutanamide
CID 97414224

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 90562094) is N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide is Cc1noc(Cc2ccccc2NC(=O)c2cc(-c3ccccc3)on2)n1.
What is the InChIKey of N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is MPBFOFDMRCVHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-13-21-19(27-23-13)11-15-9-5-6-10-16(15)22-20(25)17-12-18(26-24-17)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,22,25).
What are the key properties of N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90562094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).