N-[1-(3-amino-3-oxopropyl)-5-(1-cyclopropyl-1-oxopropan-2-yl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide

C20H21N5O4 — CID 11452234

About N-[1-(3-amino-3-oxopropyl)-5-(1-cyclopropyl-1-oxopropan-2-yl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide

N-[1-(3-amino-3-oxopropyl)-5-(1-cyclopropyl-1-oxopropan-2-yl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 11452234) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)-5-(1-cyclopropyl-1-oxopropan-2-yl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-(3-amino-3-oxopropyl)-5-(1-cyclopropyl-1-oxopropan-2-yl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide
• PubChem CID: 11452234
• Molecular Formula: C20H21N5O4
• Molecular Weight: 395.42 g/mol
• Exact Mass: 395.16
• IUPAC Name: N-[1-(3-amino-3-oxopropyl)-5-(1-cyclopropyl-1-oxopropan-2-yl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide
• SMILES: CC(C(=O)C1CC1)c1ccc2c(c1)nc(NC(=O)c1ccno1)n2CCC(N)=O
• InChI: InChI=1S/C20H21N5O4/c1-11(18(27)12-2-3-12)13-4-5-15-14(10-13)23-20(25(15)9-7-17(21)26)24-19(28)16-6-8-22-29-16/h4-6,8,10-12H,2-3,7,9H2,1H3,(H2,21,26)(H,23,24,28)
• InChIKey: QOVPLGMYVXASEE-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 133.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.42
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-(1-cyclopropyl-1-oxopropan-2-yl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide?

The IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-(1-cyclopropyl-1-oxopropan-2-yl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide (CID 11452234) is N-[1-(3-amino-3-oxopropyl)-5-(1-cyclopropyl-1-oxopropan-2-yl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-[1-(3-amino-3-oxopropyl)-5-(1-cyclopropyl-1-oxopropan-2-yl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-[1-(3-amino-3-oxopropyl)-5-(1-cyclopropyl-1-oxopropan-2-yl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide is CC(C(=O)C1CC1)c1ccc2c(c1)nc(NC(=O)c1ccno1)n2CCC(N)=O.

What is the InChIKey of N-[1-(3-amino-3-oxopropyl)-5-(1-cyclopropyl-1-oxopropan-2-yl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide?

The InChIKey is QOVPLGMYVXASEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-11(18(27)12-2-3-12)13-4-5-15-14(10-13)23-20(25(15)9-7-17(21)26)24-19(28)16-6-8-22-29-16/h4-6,8,10-12H,2-3,7,9H2,1H3,(H2,21,26)(H,23,24,28).

What are the key properties of N-[1-(3-amino-3-oxopropyl)-5-(1-cyclopropyl-1-oxopropan-2-yl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide?

N-[1-(3-amino-3-oxopropyl)-5-(1-cyclopropyl-1-oxopropan-2-yl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-amino-3-oxopropyl)-5-(1-cyclopropyl-1-oxopropan-2-yl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 11452234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).