2-[[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylmethyl]-5-propan-2-yl-1,3-oxazole

C17H25N3O2S — CID 97213392

IUPAC2-[[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylmethyl]-5-propan-2-yl-1,3-oxazole
SMILESCc1nc(SCc2ncc(C(C)C)o2)n(C[C@@H]2CCCO2)c1C
InChIInChI=1S/C17H25N3O2S/c1-11(2)15-8-18-16(22-15)10-23-17-19-12(3)13(4)20(17)9-14-6-5-7-21-14/h8,11,14H,5-7,9-10H2,1-4H3/t14-/m0/s1
InChIKeyNNGGKSSFKCRPBD-AWEZNQCLSA-N
MW335.47 g/mol
LogP4.08
Rot. Bonds6

About 2-[[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylmethyl]-5-propan-2-yl-1,3-oxazole

2-[[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylmethyl]-5-propan-2-yl-1,3-oxazole (PubChem CID 97213392) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-[[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylmethyl]-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-[[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylmethyl]-5-propan-2-yl-1,3-oxazole
PubChem CID97213392
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name2-[[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylmethyl]-5-propan-2-yl-1,3-oxazole
SMILESCc1nc(SCc2ncc(C(C)C)o2)n(C[C@@H]2CCCO2)c1C
InChIInChI=1S/C17H25N3O2S/c1-11(2)15-8-18-16(22-15)10-23-17-19-12(3)13(4)20(17)9-14-6-5-7-21-14/h8,11,14H,5-7,9-10H2,1-4H3/t14-/m0/s1
InChIKeyNNGGKSSFKCRPBD-AWEZNQCLSA-N
XLogP4.08
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylmethyl]-5-propan-2-yl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 71880150
5-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 46812747
2-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 22830961
4,5-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-1-(oxolan-2-ylmethyl)imidazole
CID 47007559
4-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole
CID 46445354
5-[[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 24573959
2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 31876581
2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 46812725
2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-1-(2-methoxyphenyl)ethanone
CID 25348283
2-[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 30010395
2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17447645
2-[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
CID 93255820

Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylmethyl]-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-[[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylmethyl]-5-propan-2-yl-1,3-oxazole (CID 97213392) is 2-[[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylmethyl]-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-[[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylmethyl]-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-[[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylmethyl]-5-propan-2-yl-1,3-oxazole is Cc1nc(SCc2ncc(C(C)C)o2)n(C[C@@H]2CCCO2)c1C.
What is the InChIKey of 2-[[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylmethyl]-5-propan-2-yl-1,3-oxazole?
The InChIKey is NNGGKSSFKCRPBD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-11(2)15-8-18-16(22-15)10-23-17-19-12(3)13(4)20(17)9-14-6-5-7-21-14/h8,11,14H,5-7,9-10H2,1-4H3/t14-/m0/s1.
What are the key properties of 2-[[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylmethyl]-5-propan-2-yl-1,3-oxazole?
2-[[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylmethyl]-5-propan-2-yl-1,3-oxazole has a molecular weight of 335.47 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylmethyl]-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 97213392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).