5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole

C16H17N3OS — CID 39603819

IUPAC5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CSc2nc(Cc3ccccc3)c(C)[nH]2)on1
InChIInChI=1S/C16H17N3OS/c1-11-8-14(20-19-11)10-21-16-17-12(2)15(18-16)9-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,17,18)
InChIKeyWRLKMROVJWAVQC-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.90
Rot. Bonds5

About 5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole

5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole (PubChem CID 39603819) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole
PubChem CID39603819
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CSc2nc(Cc3ccccc3)c(C)[nH]2)on1
InChIInChI=1S/C16H17N3OS/c1-11-8-14(20-19-11)10-21-16-17-12(2)15(18-16)9-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,17,18)
InChIKeyWRLKMROVJWAVQC-UHFFFAOYSA-N
XLogP3.90
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 31405143
4-benzyl-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methyl-1H-imidazole
CID 7250899
4-benzyl-5-methyl-2-[[(2R)-oxan-2-yl]methylsulfanyl]-1H-imidazole
CID 29435354
5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 30926882
4-benzyl-5-methyl-2-[(5-nitrothiophen-3-yl)methylsulfanyl]-1H-imidazole
CID 71890958
4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-7-hydroxy-8-methylchromen-2-one
CID 41289392
(2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40939506
2-[[4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]phenoxy]methyl]pyridine
CID 60585882
5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole
CID 18099720
1-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol
CID 110879353
(2S)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 39746091
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 43051047

Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole (CID 39603819) is 5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole is Cc1cc(CSc2nc(Cc3ccccc3)c(C)[nH]2)on1.
What is the InChIKey of 5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole?
The InChIKey is WRLKMROVJWAVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11-8-14(20-19-11)10-21-16-17-12(2)15(18-16)9-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,17,18).
What are the key properties of 5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole?
5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole has a molecular weight of 299.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 39603819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).