2-(furan-2-yl)-5-methyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole

C17H15N3O2S — CID 60611530

IUPAC2-(furan-2-yl)-5-methyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole
SMILESCc1oc(-c2ccco2)nc1CSc1nc2ccccc2n1C
InChIInChI=1S/C17H15N3O2S/c1-11-13(18-16(22-11)15-8-5-9-21-15)10-23-17-19-12-6-3-4-7-14(12)20(17)2/h3-9H,10H2,1-2H3
InChIKeyPGPFTWUTEQOUIV-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.42
Rot. Bonds4

About 2-(furan-2-yl)-5-methyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole

2-(furan-2-yl)-5-methyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole (PubChem CID 60611530) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-methyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole
PubChem CID60611530
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-(furan-2-yl)-5-methyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole
SMILESCc1oc(-c2ccco2)nc1CSc1nc2ccccc2n1C
InChIInChI=1S/C17H15N3O2S/c1-11-13(18-16(22-11)15-8-5-9-21-15)10-23-17-19-12-6-3-4-7-14(12)20(17)2/h3-9H,10H2,1-2H3
InChIKeyPGPFTWUTEQOUIV-UHFFFAOYSA-N
XLogP4.42
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 16588621
1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 60611638
1-methyl-2-[(4-methylphenyl)methylsulfanyl]benzimidazole
CID 47094789
4-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole
CID 60611585
N-[1-(furan-2-yl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 687569
5-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-2-phenyl-1,3-oxazole
CID 16612283
3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82127717
3-ethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 46297490
5-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
CID 47146324
5-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methyl-1,2,4-oxadiazole
CID 56783285
7-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 27373937
N-[(E)-furan-2-ylmethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 5344429

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-methyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole?
The IUPAC name of 2-(furan-2-yl)-5-methyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole (CID 60611530) is 2-(furan-2-yl)-5-methyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole.
What is the SMILES notation for 2-(furan-2-yl)-5-methyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole?
The canonical SMILES for 2-(furan-2-yl)-5-methyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole is Cc1oc(-c2ccco2)nc1CSc1nc2ccccc2n1C.
What is the InChIKey of 2-(furan-2-yl)-5-methyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole?
The InChIKey is PGPFTWUTEQOUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-11-13(18-16(22-11)15-8-5-9-21-15)10-23-17-19-12-6-3-4-7-14(12)20(17)2/h3-9H,10H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-5-methyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole?
2-(furan-2-yl)-5-methyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole has a molecular weight of 325.39 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-methyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole is sourced from PubChem (CID 60611530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).