N-(1H-imidazol-2-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide

C11H15N5O2 — CID 56878859

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCCc1nnc(C(=O)N(C)Cc2ncc[nH]2)o1
InChIInChI=1S/C11H15N5O2/c1-3-4-9-14-15-10(18-9)11(17)16(2)7-8-12-5-6-13-8/h5-6H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyKVRMWLIMSWMZDS-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.02
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 56878859) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID56878859
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCCc1nnc(C(=O)N(C)Cc2ncc[nH]2)o1
InChIInChI=1S/C11H15N5O2/c1-3-4-9-14-15-10(18-9)11(17)16(2)7-8-12-5-6-13-8/h5-6H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyKVRMWLIMSWMZDS-UHFFFAOYSA-N
XLogP1.02
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide (CID 56878859) is N-(1H-imidazol-2-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide is CCCc1nnc(C(=O)N(C)Cc2ncc[nH]2)o1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is KVRMWLIMSWMZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-3-4-9-14-15-10(18-9)11(17)16(2)7-8-12-5-6-13-8/h5-6H,3-4,7H2,1-2H3,(H,12,13).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 56878859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).