N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide

C14H18N2O3 — CID 16920543

IUPACN-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
SMILESCCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1
InChIInChI=1S/C14H18N2O3/c1-3-13(17)15-8-12-9-16(14(18)19-12)11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyMBUFYQTWEZLENA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.85
Rot. Bonds4

About N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide

N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide (PubChem CID 16920543) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
PubChem CID16920543
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
SMILESCCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1
InChIInChI=1S/C14H18N2O3/c1-3-13(17)15-8-12-9-16(14(18)19-12)11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyMBUFYQTWEZLENA-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 16920637
2-methyl-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 16920545
N-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 16921393
2,6-difluoro-N-[[(5R)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 51451946
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzamide
CID 16920617
N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methylbutanamide
CID 110328161
2-ethoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 16920412
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide
CID 110327870
ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate
CID 14809103
N-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pentanamide
CID 16921302
(5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 95564147
N-[[(5S)-3-[3-fluoro-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 54499771

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
The IUPAC name of N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide (CID 16920543) is N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide.
What is the SMILES notation for N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
The canonical SMILES for N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide is CCC(=O)NCC1CN(c2ccc(C)cc2)C(=O)O1.
What is the InChIKey of N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
The InChIKey is MBUFYQTWEZLENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-13(17)15-8-12-9-16(14(18)19-12)11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide has a molecular weight of 262.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide is sourced from PubChem (CID 16920543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).