3-[2-(4-methoxyphenyl)ethyl]-1,3-oxazinan-2-one

C13H17NO3 — CID 101496392

IUPAC3-[2-(4-methoxyphenyl)ethyl]-1,3-oxazinan-2-one
SMILESCOc1ccc(CCN2CCCOC2=O)cc1
InChIInChI=1S/C13H17NO3/c1-16-12-5-3-11(4-6-12)7-9-14-8-2-10-17-13(14)15/h3-6H,2,7-10H2,1H3
InChIKeyPDLHRPBXBUGREJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.08
Rot. Bonds4

About 3-[2-(4-methoxyphenyl)ethyl]-1,3-oxazinan-2-one

3-[2-(4-methoxyphenyl)ethyl]-1,3-oxazinan-2-one (PubChem CID 101496392) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethyl]-1,3-oxazinan-2-one
PubChem CID101496392
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-[2-(4-methoxyphenyl)ethyl]-1,3-oxazinan-2-one
SMILESCOc1ccc(CCN2CCCOC2=O)cc1
InChIInChI=1S/C13H17NO3/c1-16-12-5-3-11(4-6-12)7-9-14-8-2-10-17-13(14)15/h3-6H,2,7-10H2,1H3
InChIKeyPDLHRPBXBUGREJ-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-aminophenyl)ethyl]-1,3-oxazolidin-2-one
CID 10703476
(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3-carboxamide
CID 25384262
3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 143433402
4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-5-one
CID 82296397
3-[2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one
CID 47061882
4-[2-(4-methoxyphenyl)ethyl]morpholine-2,6-dione
CID 55237705
3-[3-(methylamino)propyl]-1,3-oxazinan-2-one
CID 61349236
1-[2-(4-methoxyphenyl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168708660
3-[2-(5-methoxy-2-methylanilino)ethyl]-1,3-oxazolidin-2-one
CID 21071128
3-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
CID 94599769
1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinolin-8-amine
CID 65444601
(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 972679

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-1,3-oxazinan-2-one (CID 101496392) is 3-[2-(4-methoxyphenyl)ethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethyl]-1,3-oxazinan-2-one is COc1ccc(CCN2CCCOC2=O)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethyl]-1,3-oxazinan-2-one?
The InChIKey is PDLHRPBXBUGREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-12-5-3-11(4-6-12)7-9-14-8-2-10-17-13(14)15/h3-6H,2,7-10H2,1H3.
What are the key properties of 3-[2-(4-methoxyphenyl)ethyl]-1,3-oxazinan-2-one?
3-[2-(4-methoxyphenyl)ethyl]-1,3-oxazinan-2-one has a molecular weight of 235.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 101496392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).