N-[[(2S)-oxolan-2-yl]methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide

C19H22N6O3 — CID 95104422

IUPACN-[[(2S)-oxolan-2-yl]methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCC(C)c1noc(-c2ccnc(-n3cnc(C(=O)NC[C@@H]4CCCO4)c3)c2)n1
InChIInChI=1S/C19H22N6O3/c1-12(2)17-23-19(28-24-17)13-5-6-20-16(8-13)25-10-15(22-11-25)18(26)21-9-14-4-3-7-27-14/h5-6,8,10-12,14H,3-4,7,9H2,1-2H3,(H,21,26)/t14-/m0/s1
InChIKeyXPMGQWUEBIFIGT-AWEZNQCLSA-N
MW382.42 g/mol
LogP2.35
Rot. Bonds6

About N-[[(2S)-oxolan-2-yl]methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide

N-[[(2S)-oxolan-2-yl]methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 95104422) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID95104422
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCC(C)c1noc(-c2ccnc(-n3cnc(C(=O)NC[C@@H]4CCCO4)c3)c2)n1
InChIInChI=1S/C19H22N6O3/c1-12(2)17-23-19(28-24-17)13-5-6-20-16(8-13)25-10-15(22-11-25)18(26)21-9-14-4-3-7-27-14/h5-6,8,10-12,14H,3-4,7,9H2,1-2H3,(H,21,26)/t14-/m0/s1
InChIKeyXPMGQWUEBIFIGT-AWEZNQCLSA-N
XLogP2.35
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclohexyl-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178762
N-[(2R)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 95104418
1-(6-methyl-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
CID 1491434
[1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-thiomorpholin-4-ylmethanone
CID 53178781
1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
CID 95099061
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(4-propan-2-ylphenyl)methyl]imidazole-4-carboxamide
CID 53489878
5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 95104450
N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide
CID 100816447
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclopropylimidazole-4-carboxamide
CID 53178733
1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
CID 95102243
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-phenylethyl]imidazole-4-carboxamide
CID 95104411
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (CID 95104422) is N-[[(2S)-oxolan-2-yl]methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is CC(C)c1noc(-c2ccnc(-n3cnc(C(=O)NC[C@@H]4CCCO4)c3)c2)n1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is XPMGQWUEBIFIGT-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-12(2)17-23-19(28-24-17)13-5-6-20-16(8-13)25-10-15(22-11-25)18(26)21-9-14-4-3-7-27-14/h5-6,8,10-12,14H,3-4,7,9H2,1-2H3,(H,21,26)/t14-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
N-[[(2S)-oxolan-2-yl]methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 95104422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).