1-[3-(3-cyanophenyl)-1,2-oxazol-5-yl]cyclobutane-1-carboxamide

C15H13N3O2 — CID 155622173

IUPAC1-[3-(3-cyanophenyl)-1,2-oxazol-5-yl]cyclobutane-1-carboxamide
SMILESN#Cc1cccc(-c2cc(C3(C(N)=O)CCC3)on2)c1
InChIInChI=1S/C15H13N3O2/c16-9-10-3-1-4-11(7-10)12-8-13(20-18-12)15(14(17)19)5-2-6-15/h1,3-4,7-8H,2,5-6H2,(H2,17,19)
InChIKeyNJCOAFDPQVBEID-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.12
Rot. Bonds3

About 1-[3-(3-cyanophenyl)-1,2-oxazol-5-yl]cyclobutane-1-carboxamide

1-[3-(3-cyanophenyl)-1,2-oxazol-5-yl]cyclobutane-1-carboxamide (PubChem CID 155622173) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[3-(3-cyanophenyl)-1,2-oxazol-5-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[3-(3-cyanophenyl)-1,2-oxazol-5-yl]cyclobutane-1-carboxamide
PubChem CID155622173
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name1-[3-(3-cyanophenyl)-1,2-oxazol-5-yl]cyclobutane-1-carboxamide
SMILESN#Cc1cccc(-c2cc(C3(C(N)=O)CCC3)on2)c1
InChIInChI=1S/C15H13N3O2/c16-9-10-3-1-4-11(7-10)12-8-13(20-18-12)15(14(17)19)5-2-6-15/h1,3-4,7-8H,2,5-6H2,(H2,17,19)
InChIKeyNJCOAFDPQVBEID-UHFFFAOYSA-N
XLogP2.12
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-1,2-oxazol-3-yl)benzonitrile
CID 18612646
3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide
CID 175964567
N-(3-acetamidocyclobutyl)-3-(3-cyanophenyl)-N-methyl-1,2-oxazole-5-carboxamide
CID 167818481
3-(3-cyanophenyl)-N-(3-diazenylcyclobutyl)-N-methyl-1,2-oxazole-5-carboxamide
CID 163770056
1-(3-cyanophenyl)cyclohexane-1-carboxylic acid
CID 117330593
1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide
CID 81179740
1-[3-(3-fluoro-2-methyl-4-pyridinyl)-1,2-oxazol-5-yl]cyclopropane-1-carboxamide
CID 169262819
3-(3-cyanophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 10656346
3-(5-amino-3,4-dihydroxyfuran-2-yl)benzonitrile
CID 123634735
3-[3-(3-cyanophenyl)-1,2,4-oxadiazol-5-yl]propanoyl chloride
CID 59491870
3-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106523489
(2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]piperidine-1-carboxylic acid
CID 141188442

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-cyanophenyl)-1,2-oxazol-5-yl]cyclobutane-1-carboxamide?
The IUPAC name of 1-[3-(3-cyanophenyl)-1,2-oxazol-5-yl]cyclobutane-1-carboxamide (CID 155622173) is 1-[3-(3-cyanophenyl)-1,2-oxazol-5-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-[3-(3-cyanophenyl)-1,2-oxazol-5-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-[3-(3-cyanophenyl)-1,2-oxazol-5-yl]cyclobutane-1-carboxamide is N#Cc1cccc(-c2cc(C3(C(N)=O)CCC3)on2)c1.
What is the InChIKey of 1-[3-(3-cyanophenyl)-1,2-oxazol-5-yl]cyclobutane-1-carboxamide?
The InChIKey is NJCOAFDPQVBEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-9-10-3-1-4-11(7-10)12-8-13(20-18-12)15(14(17)19)5-2-6-15/h1,3-4,7-8H,2,5-6H2,(H2,17,19).
What are the key properties of 1-[3-(3-cyanophenyl)-1,2-oxazol-5-yl]cyclobutane-1-carboxamide?
1-[3-(3-cyanophenyl)-1,2-oxazol-5-yl]cyclobutane-1-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-cyanophenyl)-1,2-oxazol-5-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 155622173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).