5-(4-ethoxyanilino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile

C25H21N3O3 — CID 18822730

IUPAC5-(4-ethoxyanilino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESCCOc1ccc(Nc2oc(-c3ccc(OCc4ccccc4)cc3)nc2C#N)cc1
InChIInChI=1S/C25H21N3O3/c1-2-29-21-14-10-20(11-15-21)27-25-23(16-26)28-24(31-25)19-8-12-22(13-9-19)30-17-18-6-4-3-5-7-18/h3-15,27H,2,17H2,1H3
InChIKeyBAGKWSQSMUVZMT-UHFFFAOYSA-N
MW411.46 g/mol
LogP5.93
Rot. Bonds8

About 5-(4-ethoxyanilino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile

5-(4-ethoxyanilino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 18822730) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 5-(4-ethoxyanilino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-ethoxyanilino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile
PubChem CID18822730
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name5-(4-ethoxyanilino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESCCOc1ccc(Nc2oc(-c3ccc(OCc4ccccc4)cc3)nc2C#N)cc1
InChIInChI=1S/C25H21N3O3/c1-2-29-21-14-10-20(11-15-21)27-25-23(16-26)28-24(31-25)19-8-12-22(13-9-19)30-17-18-6-4-3-5-7-18/h3-15,27H,2,17H2,1H3
InChIKeyBAGKWSQSMUVZMT-UHFFFAOYSA-N
XLogP5.93
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-ethoxyanilino)-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 892137
2-(3,4-dimethoxyphenyl)-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile
CID 18822660
2-(4-methoxyphenyl)-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile
CID 23736098
5-N,2-bis(4-ethoxyphenyl)-1,3-oxazole-4,5-diamine
CID 70846683
2-(4-tert-butylphenyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile
CID 18822695
2-[4-[(2-chlorophenyl)methoxy]phenyl]-5-[[2-(diethylamino)-2-phenylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 46299768
4-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine
CID 18825777
2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine
CID 18826150
2-[4-[(2-chlorophenyl)methoxy]phenyl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile
CID 18822744
5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 18822876
5-(1,3-benzodioxol-5-ylamino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 2372875
2-[4-[(2-chlorophenyl)methoxy]phenyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 40632224

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyanilino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(4-ethoxyanilino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile (CID 18822730) is 5-(4-ethoxyanilino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(4-ethoxyanilino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(4-ethoxyanilino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile is CCOc1ccc(Nc2oc(-c3ccc(OCc4ccccc4)cc3)nc2C#N)cc1.
What is the InChIKey of 5-(4-ethoxyanilino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is BAGKWSQSMUVZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-2-29-21-14-10-20(11-15-21)27-25-23(16-26)28-24(31-25)19-8-12-22(13-9-19)30-17-18-6-4-3-5-7-18/h3-15,27H,2,17H2,1H3.
What are the key properties of 5-(4-ethoxyanilino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile?
5-(4-ethoxyanilino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 411.46 g/mol, XLogP of 5.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyanilino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 18822730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).