2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile

C16H17N3O3 — CID 891985

IUPAC2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
SMILESCCOc1ccc(-c2nc(C#N)c(N3CCOCC3)o2)cc1
InChIInChI=1S/C16H17N3O3/c1-2-21-13-5-3-12(4-6-13)15-18-14(11-17)16(22-15)19-7-9-20-10-8-19/h3-6H,2,7-10H2,1H3
InChIKeyMLAWFFIMSWPGKB-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.45
Rot. Bonds4

About 2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile

2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile (PubChem CID 891985) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
PubChem CID891985
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
SMILESCCOc1ccc(-c2nc(C#N)c(N3CCOCC3)o2)cc1
InChIInChI=1S/C16H17N3O3/c1-2-21-13-5-3-12(4-6-13)15-18-14(11-17)16(22-15)19-7-9-20-10-8-19/h3-6H,2,7-10H2,1H3
InChIKeyMLAWFFIMSWPGKB-UHFFFAOYSA-N
XLogP2.45
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(4-Chlorophenyl)methoxy]phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile
CID 663459
2-(4-Methylphenyl)-5-[(tetrahydrofuran-2-ylmethyl)amino]-1,3-oxazole-4-carbonitrile
CID 3146502
2-(4-Methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
CID 693639
5-(2-Furanylmethylamino)-2-(3-methylphenyl)-4-oxazolecarbonitrile
CID 940115
2-(2-Fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 940212
5-(4-Methoxyanilino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 950402
1-[4-Cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 2408550
2-Phenyl-5-(2-piperidin-1-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 696134
5-[(Oxolan-2-ylmethyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 2910437
2-(4-Ethoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
CID 1984543
2-(4-Methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
CID 2941177
Ethyl 1-[({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)acetyl]piperidine-4-carboxylate
CID 3244948

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile (CID 891985) is 2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile is CCOc1ccc(-c2nc(C#N)c(N3CCOCC3)o2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is MLAWFFIMSWPGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-2-21-13-5-3-12(4-6-13)15-18-14(11-17)16(22-15)19-7-9-20-10-8-19/h3-6H,2,7-10H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile?
2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 299.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 891985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).