4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-(1,3-oxazol-2-yl)hexan-1-ol

C19H22ClN3O2 — CID 57269695

IUPAC4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-(1,3-oxazol-2-yl)hexan-1-ol
SMILESCc1nccn1C(CO)CC(c1ccc(Cl)cc1)C(C)c1ncco1
InChIInChI=1S/C19H22ClN3O2/c1-13(19-22-8-10-25-19)18(15-3-5-16(20)6-4-15)11-17(12-24)23-9-7-21-14(23)2/h3-10,13,17-18,24H,11-12H2,1-2H3
InChIKeyBEKVOYDCOWWECM-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.34
Rot. Bonds7

About 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-(1,3-oxazol-2-yl)hexan-1-ol

4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-(1,3-oxazol-2-yl)hexan-1-ol (PubChem CID 57269695) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-(1,3-oxazol-2-yl)hexan-1-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-(1,3-oxazol-2-yl)hexan-1-ol
PubChem CID57269695
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-(1,3-oxazol-2-yl)hexan-1-ol
SMILESCc1nccn1C(CO)CC(c1ccc(Cl)cc1)C(C)c1ncco1
InChIInChI=1S/C19H22ClN3O2/c1-13(19-22-8-10-25-19)18(15-3-5-16(20)6-4-15)11-17(12-24)23-9-7-21-14(23)2/h3-10,13,17-18,24H,11-12H2,1-2H3
InChIKeyBEKVOYDCOWWECM-UHFFFAOYSA-N
XLogP4.34
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-chloro-4-(4-chlorophenyl)-5-(1,3-oxazol-2-yl)hexanoate
CID 57179577
1-[(4-chlorophenyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
CID 171801414
1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol
CID 70525917
1-(1,3-oxazol-2-yl)ethanethiol
CID 142401633
2-methyl-1-[(1R)-1-phenylethyl]imidazole
CID 76960079
2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole
CID 117187741
N-[2,3-bis(4-chlorophenyl)butyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 69145430
2-(2-methylpentan-3-yl)-1,3-oxazole
CID 170118865
2-chloro-5-[1-(2-methylimidazol-1-yl)ethyl]pyrazine
CID 171801522
(2R)-2-(4-chlorophenyl)sulfanyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 94015798
2-(hydroxymethyl)-3-(2-methylimidazol-1-yl)-3-phenylpropanal
CID 129306742
1-chloro-4-(2,5-dimethylhexan-3-yl)benzene
CID 123685686

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-(1,3-oxazol-2-yl)hexan-1-ol?
The IUPAC name of 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-(1,3-oxazol-2-yl)hexan-1-ol (CID 57269695) is 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-(1,3-oxazol-2-yl)hexan-1-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-(1,3-oxazol-2-yl)hexan-1-ol?
The canonical SMILES for 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-(1,3-oxazol-2-yl)hexan-1-ol is Cc1nccn1C(CO)CC(c1ccc(Cl)cc1)C(C)c1ncco1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-(1,3-oxazol-2-yl)hexan-1-ol?
The InChIKey is BEKVOYDCOWWECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-13(19-22-8-10-25-19)18(15-3-5-16(20)6-4-15)11-17(12-24)23-9-7-21-14(23)2/h3-10,13,17-18,24H,11-12H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-(1,3-oxazol-2-yl)hexan-1-ol?
4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-(1,3-oxazol-2-yl)hexan-1-ol has a molecular weight of 359.86 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-(1,3-oxazol-2-yl)hexan-1-ol is sourced from PubChem (CID 57269695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).