3-[3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-4-methylphenyl]-1,3-oxazolidin-2-one

C18H25N3O3 — CID 96824410

IUPAC3-[3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-4-methylphenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(N2CCOC2=O)cc1NCC(=O)N1CCCCCC1
InChIInChI=1S/C18H25N3O3/c1-14-6-7-15(21-10-11-24-18(21)23)12-16(14)19-13-17(22)20-8-4-2-3-5-9-20/h6-7,12,19H,2-5,8-11,13H2,1H3
InChIKeyAIDOLUCTZGKGSU-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.77
Rot. Bonds4

About 3-[3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-4-methylphenyl]-1,3-oxazolidin-2-one

3-[3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-4-methylphenyl]-1,3-oxazolidin-2-one (PubChem CID 96824410) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-4-methylphenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-4-methylphenyl]-1,3-oxazolidin-2-one
PubChem CID96824410
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3-[3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-4-methylphenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(N2CCOC2=O)cc1NCC(=O)N1CCCCCC1
InChIInChI=1S/C18H25N3O3/c1-14-6-7-15(21-10-11-24-18(21)23)12-16(14)19-13-17(22)20-8-4-2-3-5-9-20/h6-7,12,19H,2-5,8-11,13H2,1H3
InChIKeyAIDOLUCTZGKGSU-UHFFFAOYSA-N
XLogP2.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylethanone
CID 43806024
3-[3-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]-1,3-oxazolidin-2-one
CID 99698649
1-(azepan-1-yl)-2-(4-bromo-2-methylanilino)ethanone
CID 28572456
1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone
CID 71934936
N-[2-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 71869091
1-(azepan-1-yl)-2-(2,5-difluoro-4-methylanilino)ethanone
CID 103585764
3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 109013832
1-(azepan-1-yl)-2-(5-bromo-4-fluoro-2-methylanilino)ethanone
CID 103238791
1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide
CID 78821595
2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone
CID 28826126
5-methyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 51132909
2-(5-bromo-4-fluoro-2-methylanilino)-1-pyrrolidin-1-ylethanone
CID 103238734

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-4-methylphenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-4-methylphenyl]-1,3-oxazolidin-2-one (CID 96824410) is 3-[3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-4-methylphenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-4-methylphenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-4-methylphenyl]-1,3-oxazolidin-2-one is Cc1ccc(N2CCOC2=O)cc1NCC(=O)N1CCCCCC1.
What is the InChIKey of 3-[3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-4-methylphenyl]-1,3-oxazolidin-2-one?
The InChIKey is AIDOLUCTZGKGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14-6-7-15(21-10-11-24-18(21)23)12-16(14)19-13-17(22)20-8-4-2-3-5-9-20/h6-7,12,19H,2-5,8-11,13H2,1H3.
What are the key properties of 3-[3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-4-methylphenyl]-1,3-oxazolidin-2-one?
3-[3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-4-methylphenyl]-1,3-oxazolidin-2-one has a molecular weight of 331.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-4-methylphenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 96824410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).