N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

C20H20N4O4 — CID 38467641

IUPACN-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2ccc3oc(=O)[nH]c3c2)c2ccccc21
InChIInChI=1S/C20H20N4O4/c1-2-10-23-15-5-3-4-6-16(15)24(20(23)27)11-9-18(25)21-13-7-8-17-14(12-13)22-19(26)28-17/h3-8,12H,2,9-11H2,1H3,(H,21,25)(H,22,26)
InChIKeyBGZQAHYXQNORQK-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.68
Rot. Bonds6

About N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 38467641) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID38467641
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2ccc3oc(=O)[nH]c3c2)c2ccccc21
InChIInChI=1S/C20H20N4O4/c1-2-10-23-15-5-3-4-6-16(15)24(20(23)27)11-9-18(25)21-13-7-8-17-14(12-13)22-19(26)28-17/h3-8,12H,2,9-11H2,1H3,(H,21,25)(H,22,26)
InChIKeyBGZQAHYXQNORQK-UHFFFAOYSA-N
XLogP2.68
TPSA102.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 33154220
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401
4-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 38466657
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
ethyl 4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]benzoate
CID 27007290
N-(3-amino-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 119419381
N-(3-chloro-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 18292823
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 47160045
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 24638182
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 134019747
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride
CID 119709871

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 38467641) is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)Nc2ccc3oc(=O)[nH]c3c2)c2ccccc21.
What is the InChIKey of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is BGZQAHYXQNORQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-2-10-23-15-5-3-4-6-16(15)24(20(23)27)11-9-18(25)21-13-7-8-17-14(12-13)22-19(26)28-17/h3-8,12H,2,9-11H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 380.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 38467641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).