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

C18H13N3O3 — CID 68520905

IUPAC2-(3-cyanophenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2oc(-c3cccc(C#N)c3)nc2C(N)=O)cc1
InChIInChI=1S/C18H13N3O3/c1-23-14-7-5-12(6-8-14)16-15(17(20)22)21-18(24-16)13-4-2-3-11(9-13)10-19/h2-9H,1H3,(H2,20,22)
InChIKeyVFTWELOTMKZXCX-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.99
Rot. Bonds4

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

2-(3-cyanophenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 68520905) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-cyanophenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
PubChem CID68520905
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name2-(3-cyanophenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2oc(-c3cccc(C#N)c3)nc2C(N)=O)cc1
InChIInChI=1S/C18H13N3O3/c1-23-14-7-5-12(6-8-14)16-15(17(20)22)21-18(24-16)13-4-2-3-11(9-13)10-19/h2-9H,1H3,(H2,20,22)
InChIKeyVFTWELOTMKZXCX-UHFFFAOYSA-N
XLogP2.99
TPSA102.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 11658697
2-(3-methoxyanilino)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 59587579
3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzonitrile
CID 167877413
2-(3-ethynylphenyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 145143182
2-[4-(aminomethyl)phenyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 174598172
benzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
CID 44556824
3-(3-methoxyphenyl)benzonitrile
CID 4189594
ethyl 2-[2-(4-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 134997790
2-(2,6-difluorophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazole-4-carboxamide
CID 59587395
5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 11370771
ethane;3-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile
CID 144584571
N-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392024

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(3-cyanophenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide (CID 68520905) is 2-(3-cyanophenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(3-cyanophenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(3-cyanophenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide is COc1ccc(-c2oc(-c3cccc(C#N)c3)nc2C(N)=O)cc1.
What is the InChIKey of 2-(3-cyanophenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is VFTWELOTMKZXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c1-23-14-7-5-12(6-8-14)16-15(17(20)22)21-18(24-16)13-4-2-3-11(9-13)10-19/h2-9H,1H3,(H2,20,22).
What are the key properties of 2-(3-cyanophenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
2-(3-cyanophenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 68520905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).