5-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide

C15H16N4O5 — CID 102562426

IUPAC5-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCOc1cc(C#N)ccc1OCC(=O)NCC1CC(C(N)=O)=NO1
InChIInChI=1S/C15H16N4O5/c1-22-13-4-9(6-16)2-3-12(13)23-8-14(20)18-7-10-5-11(15(17)21)19-24-10/h2-4,10H,5,7-8H2,1H3,(H2,17,21)(H,18,20)
InChIKeyFQLWRTGUTMWIGN-UHFFFAOYSA-N
MW332.32 g/mol
LogP-0.31
Rot. Bonds7

About 5-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide

5-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 102562426) has the molecular formula C15H16N4O5 and a molecular weight of 332.32 g/mol. Its IUPAC name is 5-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID102562426
Molecular FormulaC15H16N4O5
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC Name5-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCOc1cc(C#N)ccc1OCC(=O)NCC1CC(C(N)=O)=NO1
InChIInChI=1S/C15H16N4O5/c1-22-13-4-9(6-16)2-3-12(13)23-8-14(20)18-7-10-5-11(15(17)21)19-24-10/h2-4,10H,5,7-8H2,1H3,(H2,17,21)(H,18,20)
InChIKeyFQLWRTGUTMWIGN-UHFFFAOYSA-N
XLogP-0.31
TPSA136.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyano-2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2492539
N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 2492394
N-[[(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 98756181
2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 2559188
2-(5-cyano-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 103760377
5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide
CID 41070274
2-(4-cyano-2-methoxyphenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11914832
3-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249131
4-(2-cyclopropyl-2-oxoethoxy)-3-methoxybenzonitrile
CID 63903452
2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18083217
2-(4-cyano-2-methoxyphenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]acetamide
CID 55783641
2-(4-cyano-2-methoxyphenoxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 2976145

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 102562426) is 5-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide is COc1cc(C#N)ccc1OCC(=O)NCC1CC(C(N)=O)=NO1.
What is the InChIKey of 5-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is FQLWRTGUTMWIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O5/c1-22-13-4-9(6-16)2-3-12(13)23-8-14(20)18-7-10-5-11(15(17)21)19-24-10/h2-4,10H,5,7-8H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of 5-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
5-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 332.32 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 102562426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).