N-[4-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide

C15H21N3O4 — CID 163491524

IUPACN-[4-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide
SMILESCCC(=O)N(CCO)c1ccc(N2C[C@@H](CN)OC2=O)cc1
InChIInChI=1S/C15H21N3O4/c1-2-14(20)17(7-8-19)11-3-5-12(6-4-11)18-10-13(9-16)22-15(18)21/h3-6,13,19H,2,7-10,16H2,1H3/t13-/m1/s1
InChIKeyCNBBYUYVEQEPHU-CYBMUJFWSA-N
MW307.35 g/mol
LogP0.71
Rot. Bonds6

About N-[4-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide

N-[4-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide (PubChem CID 163491524) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[4-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound NameN-[4-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide
PubChem CID163491524
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN-[4-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide
SMILESCCC(=O)N(CCO)c1ccc(N2C[C@@H](CN)OC2=O)cc1
InChIInChI=1S/C15H21N3O4/c1-2-14(20)17(7-8-19)11-3-5-12(6-4-11)18-10-13(9-16)22-15(18)21/h3-6,13,19H,2,7-10,16H2,1H3/t13-/m1/s1
InChIKeyCNBBYUYVEQEPHU-CYBMUJFWSA-N
XLogP0.71
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 115056869
4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide
CID 175803957
(5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one
CID 129499040
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one
CID 14011249
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 16920543
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide
CID 93181902
[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]methyl-phenylcarbamic acid
CID 69397899
(5S)-5-(aminomethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one
CID 59953065
(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 42281775
(5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 15591327
(5S)-5-(aminomethyl)-3-[4-(3-hydroxymorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 135215945

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide?
The IUPAC name of N-[4-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide (CID 163491524) is N-[4-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for N-[4-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for N-[4-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide is CCC(=O)N(CCO)c1ccc(N2C[C@@H](CN)OC2=O)cc1.
What is the InChIKey of N-[4-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide?
The InChIKey is CNBBYUYVEQEPHU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-2-14(20)17(7-8-19)11-3-5-12(6-4-11)18-10-13(9-16)22-15(18)21/h3-6,13,19H,2,7-10,16H2,1H3/t13-/m1/s1.
What are the key properties of N-[4-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide?
N-[4-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide has a molecular weight of 307.35 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 163491524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).