N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-2-carboxamide

C12H17N5O2 — CID 56755427

IUPACN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-2-carboxamide
SMILESCC(C)Cc1noc(CN(C)C(=O)c2ncc[nH]2)n1
InChIInChI=1S/C12H17N5O2/c1-8(2)6-9-15-10(19-16-9)7-17(3)12(18)11-13-4-5-14-11/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyMVIFAZDNFXIDKJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.26
Rot. Bonds5

About N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-2-carboxamide

N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-2-carboxamide (PubChem CID 56755427) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-2-carboxamide
PubChem CID56755427
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-2-carboxamide
SMILESCC(C)Cc1noc(CN(C)C(=O)c2ncc[nH]2)n1
InChIInChI=1S/C12H17N5O2/c1-8(2)6-9-15-10(19-16-9)7-17(3)12(18)11-13-4-5-14-11/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyMVIFAZDNFXIDKJ-UHFFFAOYSA-N
XLogP1.26
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethyl-1H-imidazol-2-yl)-N-methyl-N-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}methanamine
CID 16191361
(5-nitro-1H-imidazol-2-yl)-pyrrolidin-1-ylmethanone
CID 134148544
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidin-3-amine
CID 71928489
3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 95817633
5-(1H-imidazol-1-ylmethyl)-3-propyl-1,2,4-oxadiazole
CID 53164448
5-[(2-Ethylimidazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 53164482
5-[(2-Ethyl-1H-imidazol-1-YL)methyl]-3-(propan-2-YL)-1,2,4-oxadiazole
CID 53164483
3-Cyclopropyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 53164484
5-[(2-Methylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 53014748
3-(1H-imidazol-2-ylmethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 75483490
N-[2-(5-Isopropyl-1,2,4-oxadiazol-3-YL)ethyl]-N,4-dimethyl-1H-imidazole-2-carboxamide
CID 90651864
N-methyl-5-({methyl[2-(2-methyl-1H-imidazol-1-yl)ethyl]amino}methyl)-1,2,4-oxadiazole-3-carboxamide
CID 91828559

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-2-carboxamide (CID 56755427) is N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-2-carboxamide is CC(C)Cc1noc(CN(C)C(=O)c2ncc[nH]2)n1.
What is the InChIKey of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-2-carboxamide?
The InChIKey is MVIFAZDNFXIDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8(2)6-9-15-10(19-16-9)7-17(3)12(18)11-13-4-5-14-11/h4-5,8H,6-7H2,1-3H3,(H,13,14).
What are the key properties of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-2-carboxamide?
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 56755427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).