N,5-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-carboxamide

C13H19N5O2 — CID 90651864

IUPACN,5-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)N(C)CCc2noc(C(C)C)n2)[nH]1
InChIInChI=1S/C13H19N5O2/c1-8(2)12-16-10(17-20-12)5-6-18(4)13(19)11-14-7-9(3)15-11/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyWECHKVRPEPPTOM-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.54
Rot. Bonds5

About N,5-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-carboxamide

N,5-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-carboxamide (PubChem CID 90651864) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N,5-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-carboxamide
PubChem CID90651864
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN,5-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)N(C)CCc2noc(C(C)C)n2)[nH]1
InChIInChI=1S/C13H19N5O2/c1-8(2)12-16-10(17-20-12)5-6-18(4)13(19)11-14-7-9(3)15-11/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyWECHKVRPEPPTOM-UHFFFAOYSA-N
XLogP1.54
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-carboxamide?
The IUPAC name of N,5-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-carboxamide (CID 90651864) is N,5-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-carboxamide is Cc1cnc(C(=O)N(C)CCc2noc(C(C)C)n2)[nH]1.
What is the InChIKey of N,5-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-carboxamide?
The InChIKey is WECHKVRPEPPTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-8(2)12-16-10(17-20-12)5-6-18(4)13(19)11-14-7-9(3)15-11/h7-8H,5-6H2,1-4H3,(H,14,15).
What are the key properties of N,5-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-carboxamide?
N,5-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 90651864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).