N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C20H20N4O3 — CID 75866987

IUPACN-[3-(benzimidazol-1-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC(C(=O)NCCCn1cnc2ccccc21)n1c(=O)oc2ccccc21
InChIInChI=1S/C20H20N4O3/c1-14(24-17-9-4-5-10-18(17)27-20(24)26)19(25)21-11-6-12-23-13-22-15-7-2-3-8-16(15)23/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,21,25)
InChIKeyDCWGLDNQDMDIPR-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.71
Rot. Bonds6

About N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 75866987) has the molecular formula C20H20N4O3 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID75866987
Molecular FormulaC20H20N4O3
Molecular Weight364.40 g/mol
Exact Mass364.15
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC(C(=O)NCCCn1cnc2ccccc21)n1c(=O)oc2ccccc21
InChIInChI=1S/C20H20N4O3/c1-14(24-17-9-4-5-10-18(17)27-20(24)26)19(25)21-11-6-12-23-13-22-15-7-2-3-8-16(15)23/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,21,25)
InChIKeyDCWGLDNQDMDIPR-UHFFFAOYSA-N
XLogP2.71
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 95165771
N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 60601414
2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide
CID 61247629
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24611150
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(1S)-1-phenylethoxy]propyl]propanamide
CID 51649204
(2S)-N-[3-(3-methylphenoxy)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 35888292
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 119063791
N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide
CID 47412640
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 134006814
N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
CID 86912487
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide
CID 126444906

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 75866987) is N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CC(C(=O)NCCCn1cnc2ccccc21)n1c(=O)oc2ccccc21.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is DCWGLDNQDMDIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14(24-17-9-4-5-10-18(17)27-20(24)26)19(25)21-11-6-12-23-13-22-15-7-2-3-8-16(15)23/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,21,25).
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 364.40 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 75866987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).