N-ethyl-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide

C20H26N2O3 — CID 95287110

IUPACN-ethyl-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide
SMILESCCN(C[C@H]1CCOC1)C(=O)CCc1nc(C)c(-c2ccccc2)o1
InChIInChI=1S/C20H26N2O3/c1-3-22(13-16-11-12-24-14-16)19(23)10-9-18-21-15(2)20(25-18)17-7-5-4-6-8-17/h4-8,16H,3,9-14H2,1-2H3/t16-/m1/s1
InChIKeyFIOJWBVCTXPDFZ-MRXNPFEDSA-N
MW342.44 g/mol
LogP3.47
Rot. Bonds7

About N-ethyl-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide

N-ethyl-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide (PubChem CID 95287110) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-ethyl-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide
PubChem CID95287110
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-ethyl-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide
SMILESCCN(C[C@H]1CCOC1)C(=O)CCc1nc(C)c(-c2ccccc2)o1
InChIInChI=1S/C20H26N2O3/c1-3-22(13-16-11-12-24-14-16)19(23)10-9-18-21-15(2)20(25-18)17-7-5-4-6-8-17/h4-8,16H,3,9-14H2,1-2H3/t16-/m1/s1
InChIKeyFIOJWBVCTXPDFZ-MRXNPFEDSA-N
XLogP3.47
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-ethyl-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide with MolForge

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Related Compounds

N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-3-ylmethyl)propanamide
CID 51082586
N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 51082558
N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 94181333
3-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190566
N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037
3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide
CID 60953285
N-ethyl-2-oxo-N-[[(3S)-oxolan-3-yl]methyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95977130
N-ethyl-N-(oxolan-3-ylmethyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55745103
N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 113223582
N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(oxolan-3-ylmethyl)acetamide
CID 75468358
4-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119230028
1-(2-chlorophenyl)-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 51099460

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide?
The IUPAC name of N-ethyl-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide (CID 95287110) is N-ethyl-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide.
What is the SMILES notation for N-ethyl-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide?
The canonical SMILES for N-ethyl-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide is CCN(C[C@H]1CCOC1)C(=O)CCc1nc(C)c(-c2ccccc2)o1.
What is the InChIKey of N-ethyl-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide?
The InChIKey is FIOJWBVCTXPDFZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-22(13-16-11-12-24-14-16)19(23)10-9-18-21-15(2)20(25-18)17-7-5-4-6-8-17/h4-8,16H,3,9-14H2,1-2H3/t16-/m1/s1.
What are the key properties of N-ethyl-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide?
N-ethyl-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide has a molecular weight of 342.44 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide is sourced from PubChem (CID 95287110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).