N-(4-cyanophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H15N3O3 — CID 6619745

IUPACN-(4-cyanophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)Nc3ccc(C#N)cc3)C2)cc1
InChIInChI=1S/C18H15N3O3/c1-23-15-8-4-13(5-9-15)16-10-17(24-21-16)18(22)20-14-6-2-12(11-19)3-7-14/h2-9,17H,10H2,1H3,(H,20,22)
InChIKeyDLCZVWKDWUGSEV-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.70
Rot. Bonds4

About N-(4-cyanophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(4-cyanophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 6619745) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID6619745
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-(4-cyanophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)Nc3ccc(C#N)cc3)C2)cc1
InChIInChI=1S/C18H15N3O3/c1-23-15-8-4-13(5-9-15)16-10-17(24-21-16)18(22)20-14-6-2-12(11-19)3-7-14/h2-9,17H,10H2,1H3,(H,20,22)
InChIKeyDLCZVWKDWUGSEV-UHFFFAOYSA-N
XLogP2.70
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503549
N-(4-cyanophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095913
(5R)-N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29089716
(5R)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503725
(5R)-N-(4-cyanophenyl)-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503834
(5S)-N-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503534
(5S)-N-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503947
N-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491428
3-(4-methoxyphenyl)-N-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491496
(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 1096397
3-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491575
3-(4-methoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 171133441

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 6619745) is N-(4-cyanophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(C2=NOC(C(=O)Nc3ccc(C#N)cc3)C2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is DLCZVWKDWUGSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-23-15-8-4-13(5-9-15)16-10-17(24-21-16)18(22)20-14-6-2-12(11-19)3-7-14/h2-9,17H,10H2,1H3,(H,20,22).
What are the key properties of N-(4-cyanophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(4-cyanophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 6619745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).