5-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole

C14H13N3OS — CID 37136433

IUPAC5-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole
SMILESCn1ccnc1SCc1cc(-c2ccccc2)no1
InChIInChI=1S/C14H13N3OS/c1-17-8-7-15-14(17)19-10-12-9-13(16-18-12)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyLWSNCUKBMJGJQV-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.37
Rot. Bonds4

About 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole

5-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole (PubChem CID 37136433) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole
PubChem CID37136433
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name5-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole
SMILESCn1ccnc1SCc1cc(-c2ccccc2)no1
InChIInChI=1S/C14H13N3OS/c1-17-8-7-15-14(17)19-10-12-9-13(16-18-12)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyLWSNCUKBMJGJQV-UHFFFAOYSA-N
XLogP3.37
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Imidazol-1-ylmethyl)-3-phenyl-1,2-oxazole
CID 137655303
5-[[4-[(1-Methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-3-phenyl-1,2-oxazole
CID 53571099
N-methyl-1-(1-methyl-1H-imidazol-2-yl)-N-[(3-phenyl-5-isoxazolyl)methyl]methanamine
CID 56906282
5-[(2-Nitroimidazol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole
CID 177650832
3-(4-Fluorophenyl)-5-[(2-nitroimidazol-1-yl)methyl]-1,2-oxazole
CID 177650974
3-(3,4-Difluorophenyl)-5-[(2-nitroimidazol-1-yl)methyl]-1,2-oxazole
CID 177651355
4-[[5-(4-Chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 4881203
(4-(((1-methyl-1H-imidazol-2-yl)thio)methyl)piperidin-1-yl)(5-phenylisoxazol-3-yl)methanone
CID 71800869
5-[(2-Nitroimidazol-1-yl)methyl]-3-(3-nitrophenyl)-1,2-oxazole
CID 177651168
5-[(2-Nitroimidazol-1-yl)methyl]-3-(4-nitrophenyl)-1,2-oxazole
CID 177651193
3-(4-Methylphenyl)-5-[(2-nitroimidazol-1-yl)methyl]-1,2-oxazole
CID 177651347
5-[(2-Nitroimidazol-1-yl)methyl]-3-phenyl-1,2-oxazole
CID 177651353

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole (CID 37136433) is 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole is Cn1ccnc1SCc1cc(-c2ccccc2)no1.
What is the InChIKey of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole?
The InChIKey is LWSNCUKBMJGJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-17-8-7-15-14(17)19-10-12-9-13(16-18-12)11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole?
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole has a molecular weight of 271.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 37136433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).