[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methanol

C15H18ClN3O2 — CID 14326454

IUPAC[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methanol
SMILESCN1OC(CO)CC1(Cn1ccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O2/c1-18-15(8-14(9-20)21-18,10-19-7-6-17-11-19)12-2-4-13(16)5-3-12/h2-7,11,14,20H,8-10H2,1H3
InChIKeyQMNZAHDFIITMBL-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.06
Rot. Bonds4

About [3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methanol

[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methanol (PubChem CID 14326454) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methanol
PubChem CID14326454
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methanol
SMILESCN1OC(CO)CC1(Cn1ccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O2/c1-18-15(8-14(9-20)21-18,10-19-7-6-17-11-19)12-2-4-13(16)5-3-12/h2-7,11,14,20H,8-10H2,1H3
InChIKeyQMNZAHDFIITMBL-UHFFFAOYSA-N
XLogP2.06
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]ethylidene]hydroxylamine
CID 86742471
5-(cyclopentylmethyl)-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine
CID 14426214
[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 794639
[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 794641
5-(3,4-dimethoxyphenyl)-3-(imidazol-1-ylmethyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 14126012
[2-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methanol
CID 13480565
5-[(4-chloro-3-methylphenyl)methyl]-3-(4-chlorophenyl)-2-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine
CID 70421181
1-[3-[2-(4-chlorophenyl)-4,5-dimethyl-1,3-dioxolan-2-yl]propyl]imidazole
CID 20547718
[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol;oxalic acid
CID 123132413
1-[[1-(4-chlorophenyl)-2-(4-phenylphenyl)cyclopropyl]methyl]imidazole
CID 13326948
1-[[(2R,4S)-4-(chloromethyl)-2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole;nitric acid
CID 67751148
1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 70545882

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methanol?
The IUPAC name of [3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methanol (CID 14326454) is [3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methanol.
What is the SMILES notation for [3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methanol?
The canonical SMILES for [3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methanol is CN1OC(CO)CC1(Cn1ccnc1)c1ccc(Cl)cc1.
What is the InChIKey of [3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methanol?
The InChIKey is QMNZAHDFIITMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-18-15(8-14(9-20)21-18,10-19-7-6-17-11-19)12-2-4-13(16)5-3-12/h2-7,11,14,20H,8-10H2,1H3.
What are the key properties of [3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methanol?
[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methanol has a molecular weight of 307.78 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methanol is sourced from PubChem (CID 14326454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).