N-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylcyclopropyl)-1,2-oxazole-5-carboxamide

C18H18N4O2 — CID 4099595

IUPACN-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylcyclopropyl)-1,2-oxazole-5-carboxamide
SMILESCn1ccnc1CN(C(=O)c1ccno1)C1CC1c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-21-10-9-19-17(21)12-22(18(23)16-7-8-20-24-16)15-11-14(15)13-5-3-2-4-6-13/h2-10,14-15H,11-12H2,1H3
InChIKeyZUOLAXROOARZOQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.61
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylcyclopropyl)-1,2-oxazole-5-carboxamide

N-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylcyclopropyl)-1,2-oxazole-5-carboxamide (PubChem CID 4099595) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylcyclopropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylcyclopropyl)-1,2-oxazole-5-carboxamide
PubChem CID4099595
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylcyclopropyl)-1,2-oxazole-5-carboxamide
SMILESCn1ccnc1CN(C(=O)c1ccno1)C1CC1c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-21-10-9-19-17(21)12-22(18(23)16-7-8-20-24-16)15-11-14(15)13-5-3-2-4-6-13/h2-10,14-15H,11-12H2,1H3
InChIKeyZUOLAXROOARZOQ-UHFFFAOYSA-N
XLogP2.61
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500
N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylcyclohexyl)quinoline-2-carboxamide
CID 42796445
N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 3710721
N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 42796220
trans-(1S,2S)-2-(3-chlorophenyl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 94801050
trans-(1S,2S)-N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-2-phenylcyclopropane-1-carboxamide
CID 96568567
N-benzyl-4-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 6580975
3-bromo-N-cyclopropyl-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 106545014
2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 114559517
N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 63977624
3-benzhydryl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 42169778
3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946346

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylcyclopropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylcyclopropyl)-1,2-oxazole-5-carboxamide (CID 4099595) is N-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylcyclopropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylcyclopropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylcyclopropyl)-1,2-oxazole-5-carboxamide is Cn1ccnc1CN(C(=O)c1ccno1)C1CC1c1ccccc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylcyclopropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is ZUOLAXROOARZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-21-10-9-19-17(21)12-22(18(23)16-7-8-20-24-16)15-11-14(15)13-5-3-2-4-6-13/h2-10,14-15H,11-12H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylcyclopropyl)-1,2-oxazole-5-carboxamide?
N-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylcyclopropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylcyclopropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 4099595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).