2-(4-methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile

C14H13N3O2 — CID 2941177

IUPAC2-(4-methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
SMILESC=CCNc1oc(-c2ccc(OC)cc2)nc1C#N
InChIInChI=1S/C14H13N3O2/c1-3-8-16-14-12(9-15)17-13(19-14)10-4-6-11(18-2)7-5-10/h3-7,16H,1,8H2,2H3
InChIKeyJQMPRRWRJKMISY-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.82
Rot. Bonds5

About 2-(4-methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile

2-(4-methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 2941177) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
PubChem CID2941177
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-(4-methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
SMILESC=CCNc1oc(-c2ccc(OC)cc2)nc1C#N
InChIInChI=1S/C14H13N3O2/c1-3-8-16-14-12(9-15)17-13(19-14)10-4-6-11(18-2)7-5-10/h3-7,16H,1,8H2,2H3
InChIKeyJQMPRRWRJKMISY-UHFFFAOYSA-N
XLogP2.82
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 17012723
3-[[4-cyano-2-(4-methoxyphenyl)-1,3-oxazol-5-yl]amino]propanoic acid
CID 46300082
5-[(4-fluorophenyl)methylamino]-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 2408635
2-(4-methoxyphenyl)-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile
CID 23736098
2-(4-tert-butylphenyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile
CID 18822695
4-[4-cyano-5-[(4-methoxyphenyl)methylamino]-1,3-oxazol-2-yl]-N,N-diethylbenzenesulfonamide
CID 16646253
2-[(E)-2-(4-ethoxyphenyl)ethenyl]-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
CID 6200477
2-(2-methylpropyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
CID 2132012
2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
CID 16646600
5-[[4-(3-chloro-2-methylphenoxy)phenyl]methylamino]-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 163347468
5-(4-ethoxyanilino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 892137
5-(1,3-benzodioxol-5-ylamino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 2372875

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(4-methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile (CID 2941177) is 2-(4-methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile is C=CCNc1oc(-c2ccc(OC)cc2)nc1C#N.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is JQMPRRWRJKMISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-3-8-16-14-12(9-15)17-13(19-14)10-4-6-11(18-2)7-5-10/h3-7,16H,1,8H2,2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile?
2-(4-methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 2941177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).