5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-oxoethyl)-1,2-dihydroimidazole-4-carboxamide

C10H14N6O3 — CID 146489874

IUPAC5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-oxoethyl)-1,2-dihydroimidazole-4-carboxamide
SMILESCc1nc(CNC(=O)C2=C(N)NCN2CC=O)no1
InChIInChI=1S/C10H14N6O3/c1-6-14-7(15-19-6)4-12-10(18)8-9(11)13-5-16(8)2-3-17/h3,13H,2,4-5,11H2,1H3,(H,12,18)
InChIKeyWKHDIYAOCNKDBD-UHFFFAOYSA-N
MW266.26 g/mol
LogP-1.82
Rot. Bonds5

About 5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-oxoethyl)-1,2-dihydroimidazole-4-carboxamide

5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-oxoethyl)-1,2-dihydroimidazole-4-carboxamide (PubChem CID 146489874) has the molecular formula C10H14N6O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-oxoethyl)-1,2-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-oxoethyl)-1,2-dihydroimidazole-4-carboxamide
PubChem CID146489874
Molecular FormulaC10H14N6O3
Molecular Weight266.26 g/mol
Exact Mass266.11
IUPAC Name5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-oxoethyl)-1,2-dihydroimidazole-4-carboxamide
SMILESCc1nc(CNC(=O)C2=C(N)NCN2CC=O)no1
InChIInChI=1S/C10H14N6O3/c1-6-14-7(15-19-6)4-12-10(18)8-9(11)13-5-16(8)2-3-17/h3,13H,2,4-5,11H2,1H3,(H,12,18)
InChIKeyWKHDIYAOCNKDBD-UHFFFAOYSA-N
XLogP-1.82
TPSA126.38 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-oxoethyl)-1,2-dihydroimidazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-oxoethyl)-1,2-dihydroimidazole-4-carboxamide (CID 146489874) is 5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-oxoethyl)-1,2-dihydroimidazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-oxoethyl)-1,2-dihydroimidazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-oxoethyl)-1,2-dihydroimidazole-4-carboxamide is Cc1nc(CNC(=O)C2=C(N)NCN2CC=O)no1.
What is the InChIKey of 5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-oxoethyl)-1,2-dihydroimidazole-4-carboxamide?
The InChIKey is WKHDIYAOCNKDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O3/c1-6-14-7(15-19-6)4-12-10(18)8-9(11)13-5-16(8)2-3-17/h3,13H,2,4-5,11H2,1H3,(H,12,18).
What are the key properties of 5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-oxoethyl)-1,2-dihydroimidazole-4-carboxamide?
5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-oxoethyl)-1,2-dihydroimidazole-4-carboxamide has a molecular weight of 266.26 g/mol, XLogP of -1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-oxoethyl)-1,2-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 146489874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).