4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one

C10H12N2O2 — CID 11842283

IUPAC4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNc1ccc(CC2COC(=O)N2)cc1
InChIInChI=1S/C10H12N2O2/c11-8-3-1-7(2-4-8)5-9-6-14-10(13)12-9/h1-4,9H,5-6,11H2,(H,12,13)
InChIKeyWNAVSKJKDPLWBD-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.92
Rot. Bonds2

About 4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one

4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 11842283) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID11842283
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNc1ccc(CC2COC(=O)N2)cc1
InChIInChI=1S/C10H12N2O2/c11-8-3-1-7(2-4-8)5-9-6-14-10(13)12-9/h1-4,9H,5-6,11H2,(H,12,13)
InChIKeyWNAVSKJKDPLWBD-UHFFFAOYSA-N
XLogP0.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-phenyl-1,3-oxazolidin-2-one
CID 730425
(R)-4-Benzyl-2-oxazolidinone
CID 2734969
2-Oxazolidinone, 4-phenyl-, (4S)-
CID 730424
(S)-4-Benzyl-2-oxazolidinone
CID 736225
(S)-4-(4-Aminobenzyl)oxazolidin-2-one
CID 7099156
2-[(Isopropoxycarbonyl)amino]ethyl 4-methylphenylcarbamate
CID 2829175
4-Phenyloxazolidin-2-one
CID 349728
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(p-aminophenethyl)-
CID 212024
tert-butyl N-[1-(4-aminophenyl)ethyl]carbamate
CID 22569414
Tert-butyl 4-aminophenethylcarbamate
CID 382207
3-Oxazolidinesulfonamide, N-(4-methylphenyl)-2-oxo-
CID 9795067
Methyl 3-(4-aminophenyl)-2-((tert-butoxycarbonyl)amino)propanoate
CID 22227788

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one (CID 11842283) is 4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one is Nc1ccc(CC2COC(=O)N2)cc1.
What is the InChIKey of 4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is WNAVSKJKDPLWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-8-3-1-7(2-4-8)5-9-6-14-10(13)12-9/h1-4,9H,5-6,11H2,(H,12,13).
What are the key properties of 4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one?
4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 192.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11842283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).