3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanamide

C21H24N4O2 — CID 166280168

IUPAC3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanamide
SMILESCc1nc2c([nH]1)CC(NC(=O)CCc1nc(C)c(-c3ccccc3)o1)CC2
InChIInChI=1S/C21H24N4O2/c1-13-21(15-6-4-3-5-7-15)27-20(22-13)11-10-19(26)25-16-8-9-17-18(12-16)24-14(2)23-17/h3-7,16H,8-12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyUZMOKFZPPOIQEE-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.29
Rot. Bonds5

About 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanamide

3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanamide (PubChem CID 166280168) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanamide
PubChem CID166280168
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanamide
SMILESCc1nc2c([nH]1)CC(NC(=O)CCc1nc(C)c(-c3ccccc3)o1)CC2
InChIInChI=1S/C21H24N4O2/c1-13-21(15-6-4-3-5-7-15)27-20(22-13)11-10-19(26)25-16-8-9-17-18(12-16)24-14(2)23-17/h3-7,16H,8-12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyUZMOKFZPPOIQEE-UHFFFAOYSA-N
XLogP3.29
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;dihydrochloride
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N-(3-cyanothiolan-3-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanamide?
The IUPAC name of 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanamide (CID 166280168) is 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanamide.
What is the SMILES notation for 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanamide?
The canonical SMILES for 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanamide is Cc1nc2c([nH]1)CC(NC(=O)CCc1nc(C)c(-c3ccccc3)o1)CC2.
What is the InChIKey of 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanamide?
The InChIKey is UZMOKFZPPOIQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13-21(15-6-4-3-5-7-15)27-20(22-13)11-10-19(26)25-16-8-9-17-18(12-16)24-14(2)23-17/h3-7,16H,8-12H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanamide?
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanamide has a molecular weight of 364.45 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanamide is sourced from PubChem (CID 166280168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).