5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide

C17H20N2O4 — CID 92757648

IUPAC5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(-c2onc(C)c2C(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C17H20N2O4/c1-11-15(17(20)18-10-14-4-3-9-22-14)16(23-19-11)12-5-7-13(21-2)8-6-12/h5-8,14H,3-4,9-10H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyBHMIZINKRGDUQU-AWEZNQCLSA-N
MW316.36 g/mol
LogP2.57
Rot. Bonds5

About 5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide

5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 92757648) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID92757648
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(-c2onc(C)c2C(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C17H20N2O4/c1-11-15(17(20)18-10-14-4-3-9-22-14)16(23-19-11)12-5-7-13(21-2)8-6-12/h5-8,14H,3-4,9-10H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyBHMIZINKRGDUQU-AWEZNQCLSA-N
XLogP2.57
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-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

5-(2-methoxyphenyl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 46096842
1-(4-methoxyphenyl)-3,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 83285028
4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
CID 51718226
4-methoxy-N-[[(2S)-oxolan-2-yl]methylcarbamothioyl]benzamide
CID 806255
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7419913
3,5-diethyl-1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42820183
3-[(4-methoxyphenyl)sulfanylmethyl]-5-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-4-carboxylic acid
CID 11958520
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 2536445
(5R)-3-(4-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503556
(5S)-3-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503557
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide (CID 92757648) is 5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide is COc1ccc(-c2onc(C)c2C(=O)NC[C@@H]2CCCO2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is BHMIZINKRGDUQU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-15(17(20)18-10-14-4-3-9-22-14)16(23-19-11)12-5-7-13(21-2)8-6-12/h5-8,14H,3-4,9-10H2,1-2H3,(H,18,20)/t14-/m0/s1.
What are the key properties of 5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide?
5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 92757648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).