N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C24H19N3O3 — CID 60525120

IUPACN-[3-[(3-cyanophenyl)methoxy]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESN#Cc1cccc(COc2cccc(NC(=O)C3=NOC(c4ccccc4)C3)c2)c1
InChIInChI=1S/C24H19N3O3/c25-15-17-6-4-7-18(12-17)16-29-21-11-5-10-20(13-21)26-24(28)22-14-23(30-27-22)19-8-2-1-3-9-19/h1-13,23H,14,16H2,(H,26,28)
InChIKeyAMEGIXVLZJWCCU-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.59
Rot. Bonds6

About N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 60525120) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-cyanophenyl)methoxy]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID60525120
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC NameN-[3-[(3-cyanophenyl)methoxy]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESN#Cc1cccc(COc2cccc(NC(=O)C3=NOC(c4ccccc4)C3)c2)c1
InChIInChI=1S/C24H19N3O3/c25-15-17-6-4-7-18(12-17)16-29-21-11-5-10-20(13-21)26-24(28)22-14-23(30-27-22)19-8-2-1-3-9-19/h1-13,23H,14,16H2,(H,26,28)
InChIKeyAMEGIXVLZJWCCU-UHFFFAOYSA-N
XLogP4.59
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(oxolan-2-ylmethoxy)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 60525118
N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
CID 39501157
6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 39001172
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 87010307
N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9245570
N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 39500262
N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(cyclopropylsulfamoyl)benzamide
CID 39499806
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide
CID 39501116
N-[3-[(3-cyanophenyl)methoxy]phenyl]morpholine-4-carboxamide
CID 47042118
4-bromo-N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 55689113
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907346
3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
CID 46594970

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 60525120) is N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is N#Cc1cccc(COc2cccc(NC(=O)C3=NOC(c4ccccc4)C3)c2)c1.
What is the InChIKey of N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is AMEGIXVLZJWCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c25-15-17-6-4-7-18(12-17)16-29-21-11-5-10-20(13-21)26-24(28)22-14-23(30-27-22)19-8-2-1-3-9-19/h1-13,23H,14,16H2,(H,26,28).
What are the key properties of N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 60525120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).