N-[[5-[1-[carbamoylcarbamoyl(propyl)amino]propyl]-1,3,4-oxadiazol-2-yl]carbamoylcarbamoyl]acetamide

C14H22N8O6 — CID 126707280

IUPACN-[[5-[1-[carbamoylcarbamoyl(propyl)amino]propyl]-1,3,4-oxadiazol-2-yl]carbamoylcarbamoyl]acetamide
SMILESCCCN(C(=O)NC(N)=O)C(CC)c1nnc(NC(=O)NC(=O)NC(C)=O)o1
InChIInChI=1S/C14H22N8O6/c1-4-6-22(14(27)17-10(15)24)8(5-2)9-20-21-13(28-9)19-12(26)18-11(25)16-7(3)23/h8H,4-6H2,1-3H3,(H3,15,17,24,27)(H3,16,18,19,21,23,25,26)
InChIKeyKEZOJRDKNJFIMK-UHFFFAOYSA-N
MW398.38 g/mol
LogP0.40
Rot. Bonds6

About N-[[5-[1-[carbamoylcarbamoyl(propyl)amino]propyl]-1,3,4-oxadiazol-2-yl]carbamoylcarbamoyl]acetamide

N-[[5-[1-[carbamoylcarbamoyl(propyl)amino]propyl]-1,3,4-oxadiazol-2-yl]carbamoylcarbamoyl]acetamide (PubChem CID 126707280) has the molecular formula C14H22N8O6 and a molecular weight of 398.38 g/mol. Its IUPAC name is N-[[5-[1-[carbamoylcarbamoyl(propyl)amino]propyl]-1,3,4-oxadiazol-2-yl]carbamoylcarbamoyl]acetamide.

Molecular Properties

Compound NameN-[[5-[1-[carbamoylcarbamoyl(propyl)amino]propyl]-1,3,4-oxadiazol-2-yl]carbamoylcarbamoyl]acetamide
PubChem CID126707280
Molecular FormulaC14H22N8O6
Molecular Weight398.38 g/mol
Exact Mass398.17
IUPAC NameN-[[5-[1-[carbamoylcarbamoyl(propyl)amino]propyl]-1,3,4-oxadiazol-2-yl]carbamoylcarbamoyl]acetamide
SMILESCCCN(C(=O)NC(N)=O)C(CC)c1nnc(NC(=O)NC(=O)NC(C)=O)o1
InChIInChI=1S/C14H22N8O6/c1-4-6-22(14(27)17-10(15)24)8(5-2)9-20-21-13(28-9)19-12(26)18-11(25)16-7(3)23/h8H,4-6H2,1-3H3,(H3,15,17,24,27)(H3,16,18,19,21,23,25,26)
InChIKeyKEZOJRDKNJFIMK-UHFFFAOYSA-N
XLogP0.40
TPSA201.65 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 50.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze N-[[5-[1-[carbamoylcarbamoyl(propyl)amino]propyl]-1,3,4-oxadiazol-2-yl]carbamoylcarbamoyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acetamide, 2-(dimethylamino)-N-(5-propyl-1,3,4-oxadiazol-2-yl)-
CID 3073224
Acetamide, 2-(diethylamino)-N-(5-propyl-1,3,4-oxadiazol-2-yl)-
CID 3073227
Acetamide, 2-(dipropylamino)-N-(5-propyl-1,3,4-oxadiazol-2-yl)-
CID 3073230
tert-butyl-[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
CID 66952381
3-Butyl-2-ethyl-19-oxa-3,5,7,9,12,14,17,18-octazabicyclo[14.2.1]nonadeca-1(18),16-diene-4,6,8,11,13-pentone
CID 126707221
2-Ethyl-3-propyl-18-oxa-3,5,7,9,11,13,16,17-octazabicyclo[13.2.1]octadeca-1(17),15-diene-4,6,8,10,12-pentone
CID 126707222
2-Ethyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione
CID 126707234
N-(formylcarbamoyl)-2-[[2-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl-propylamino]acetyl]amino]acetamide
CID 126707274
2-Ethyl-3-propyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione
CID 126707277
methyl N-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamate
CID 134249431
11,12-Diethyl-16-oxa-2,4,6,9,11,14,15-heptazabicyclo[11.2.1]hexadeca-1(15),13-diene-3,5,7,10-tetrone
CID 137084514
(9S)-13,14-diethyl-9-(2-methylpropyl)-18-oxa-2,4,7,10,13,16,17-heptazabicyclo[13.2.1]octadeca-1(17),15-diene-3,5,8,11-tetrone
CID 137084515

Frequently Asked Questions

What is the IUPAC name of N-[[5-[1-[carbamoylcarbamoyl(propyl)amino]propyl]-1,3,4-oxadiazol-2-yl]carbamoylcarbamoyl]acetamide?
The IUPAC name of N-[[5-[1-[carbamoylcarbamoyl(propyl)amino]propyl]-1,3,4-oxadiazol-2-yl]carbamoylcarbamoyl]acetamide (CID 126707280) is N-[[5-[1-[carbamoylcarbamoyl(propyl)amino]propyl]-1,3,4-oxadiazol-2-yl]carbamoylcarbamoyl]acetamide.
What is the SMILES notation for N-[[5-[1-[carbamoylcarbamoyl(propyl)amino]propyl]-1,3,4-oxadiazol-2-yl]carbamoylcarbamoyl]acetamide?
The canonical SMILES for N-[[5-[1-[carbamoylcarbamoyl(propyl)amino]propyl]-1,3,4-oxadiazol-2-yl]carbamoylcarbamoyl]acetamide is CCCN(C(=O)NC(N)=O)C(CC)c1nnc(NC(=O)NC(=O)NC(C)=O)o1.
What is the InChIKey of N-[[5-[1-[carbamoylcarbamoyl(propyl)amino]propyl]-1,3,4-oxadiazol-2-yl]carbamoylcarbamoyl]acetamide?
The InChIKey is KEZOJRDKNJFIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N8O6/c1-4-6-22(14(27)17-10(15)24)8(5-2)9-20-21-13(28-9)19-12(26)18-11(25)16-7(3)23/h8H,4-6H2,1-3H3,(H3,15,17,24,27)(H3,16,18,19,21,23,25,26).
What are the key properties of N-[[5-[1-[carbamoylcarbamoyl(propyl)amino]propyl]-1,3,4-oxadiazol-2-yl]carbamoylcarbamoyl]acetamide?
N-[[5-[1-[carbamoylcarbamoyl(propyl)amino]propyl]-1,3,4-oxadiazol-2-yl]carbamoylcarbamoyl]acetamide has a molecular weight of 398.38 g/mol, XLogP of 0.40, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[1-[carbamoylcarbamoyl(propyl)amino]propyl]-1,3,4-oxadiazol-2-yl]carbamoylcarbamoyl]acetamide is sourced from PubChem (CID 126707280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).