1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3-propylbenzimidazol-2-one

C19H19N3O2S — CID 31522663

IUPAC1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3-propylbenzimidazol-2-one
SMILESCCCn1c(=O)n(Cc2nc(-c3cccs3)oc2C)c2ccccc21
InChIInChI=1S/C19H19N3O2S/c1-3-10-21-15-7-4-5-8-16(15)22(19(21)23)12-14-13(2)24-18(20-14)17-9-6-11-25-17/h4-9,11H,3,10,12H2,1-2H3
InChIKeyUBRRPRBFZPDMBJ-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.29
Rot. Bonds5

About 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3-propylbenzimidazol-2-one

1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3-propylbenzimidazol-2-one (PubChem CID 31522663) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3-propylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3-propylbenzimidazol-2-one
PubChem CID31522663
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3-propylbenzimidazol-2-one
SMILESCCCn1c(=O)n(Cc2nc(-c3cccs3)oc2C)c2ccccc21
InChIInChI=1S/C19H19N3O2S/c1-3-10-21-15-7-4-5-8-16(15)22(19(21)23)12-14-13(2)24-18(20-14)17-9-6-11-25-17/h4-9,11H,3,10,12H2,1-2H3
InChIKeyUBRRPRBFZPDMBJ-UHFFFAOYSA-N
XLogP4.29
TPSA52.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3-propylbenzimidazol-2-one with MolForge

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Related Compounds

(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate
CID 30908157
2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 17477397
4-(chloromethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 5076491
5,5-dimethyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 30295078
3-benzyl-7-(2-methylpropyl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]purine-2,6-dione
CID 112808566
4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 23352157
(2R,6S)-2,6-dimethyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine
CID 26384790
N-(1-ethylbenzimidazol-2-yl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31870623
methyl 2-methyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 46260757
(4R)-4-(hydroxymethyl)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-oxazolidin-2-one
CID 97277452
4-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazole;4-ethyl-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 158381591
2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol
CID 60712307

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3-propylbenzimidazol-2-one?
The IUPAC name of 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3-propylbenzimidazol-2-one (CID 31522663) is 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3-propylbenzimidazol-2-one.
What is the SMILES notation for 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3-propylbenzimidazol-2-one?
The canonical SMILES for 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3-propylbenzimidazol-2-one is CCCn1c(=O)n(Cc2nc(-c3cccs3)oc2C)c2ccccc21.
What is the InChIKey of 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3-propylbenzimidazol-2-one?
The InChIKey is UBRRPRBFZPDMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-3-10-21-15-7-4-5-8-16(15)22(19(21)23)12-14-13(2)24-18(20-14)17-9-6-11-25-17/h4-9,11H,3,10,12H2,1-2H3.
What are the key properties of 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3-propylbenzimidazol-2-one?
1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3-propylbenzimidazol-2-one has a molecular weight of 353.45 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3-propylbenzimidazol-2-one is sourced from PubChem (CID 31522663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).