[2-[1-(4-chlorophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone

C19H24ClN3O2 — CID 19990543

IUPAC[2-[1-(4-chlorophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone
SMILESCCC(c1ccc(Cl)cc1)C1(C)OC(C)(C)CN1C(=O)n1ccnc1
InChIInChI=1S/C19H24ClN3O2/c1-5-16(14-6-8-15(20)9-7-14)19(4)23(12-18(2,3)25-19)17(24)22-11-10-21-13-22/h6-11,13,16H,5,12H2,1-4H3
InChIKeyAAJANXJQWBNTRU-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.53
Rot. Bonds3

About [2-[1-(4-chlorophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone

[2-[1-(4-chlorophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone (PubChem CID 19990543) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is [2-[1-(4-chlorophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[2-[1-(4-chlorophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone
PubChem CID19990543
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name[2-[1-(4-chlorophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone
SMILESCCC(c1ccc(Cl)cc1)C1(C)OC(C)(C)CN1C(=O)n1ccnc1
InChIInChI=1S/C19H24ClN3O2/c1-5-16(14-6-8-15(20)9-7-14)19(4)23(12-18(2,3)25-19)17(24)22-11-10-21-13-22/h6-11,13,16H,5,12H2,1-4H3
InChIKeyAAJANXJQWBNTRU-UHFFFAOYSA-N
XLogP4.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[1-(4-chlorophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone with MolForge

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Related Compounds

[2-[3-(4-bromophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone
CID 54070509
[1-(4-chlorophenyl)-2-imidazol-1-ylethyl] octanoate
CID 21422355
[2-(4-chlorophenyl)morpholin-4-yl]-imidazol-1-ylmethanone
CID 112732538
imidazol-1-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone
CID 175064387
S-[1-(4-chlorophenyl)-2-imidazol-1-ylethyl] octanethioate
CID 21422336
1-(4-chlorophenyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-one
CID 57000012
(E)-3-(4-chlorophenyl)-1-imidazol-1-ylprop-2-en-1-one
CID 15890236
di(imidazol-1-yl)methanone;2-methylpropyl carbonochloridate
CID 129285445
2-amino-2-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methylacetamide
CID 166270569
S-[1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 2-sulfanylpentanethioate
CID 88823725
N-butyl-N-tert-butyl-2-(4-chlorophenyl)-2-imidazol-1-ylacetamide
CID 20564380
N-(4-chlorophenyl)-N-propylimidazole-1-carbothioamide
CID 88795254

Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-chlorophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone?
The IUPAC name of [2-[1-(4-chlorophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone (CID 19990543) is [2-[1-(4-chlorophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [2-[1-(4-chlorophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [2-[1-(4-chlorophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone is CCC(c1ccc(Cl)cc1)C1(C)OC(C)(C)CN1C(=O)n1ccnc1.
What is the InChIKey of [2-[1-(4-chlorophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone?
The InChIKey is AAJANXJQWBNTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-5-16(14-6-8-15(20)9-7-14)19(4)23(12-18(2,3)25-19)17(24)22-11-10-21-13-22/h6-11,13,16H,5,12H2,1-4H3.
What are the key properties of [2-[1-(4-chlorophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone?
[2-[1-(4-chlorophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone has a molecular weight of 361.87 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-chlorophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 19990543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).