N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(1-methylimidazol-2-yl)benzamide

C18H18N4O2 — CID 119074837

IUPACN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(1-methylimidazol-2-yl)benzamide
SMILESCn1ccnc1-c1ccc(C(=O)NCc2cc(C3CC3)on2)cc1
InChIInChI=1S/C18H18N4O2/c1-22-9-8-19-17(22)13-4-6-14(7-5-13)18(23)20-11-15-10-16(24-21-15)12-2-3-12/h4-10,12H,2-3,11H2,1H3,(H,20,23)
InChIKeyWTJAJUDSLCXKBV-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.88
Rot. Bonds5

About N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(1-methylimidazol-2-yl)benzamide

N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(1-methylimidazol-2-yl)benzamide (PubChem CID 119074837) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(1-methylimidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(1-methylimidazol-2-yl)benzamide
PubChem CID119074837
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(1-methylimidazol-2-yl)benzamide
SMILESCn1ccnc1-c1ccc(C(=O)NCc2cc(C3CC3)on2)cc1
InChIInChI=1S/C18H18N4O2/c1-22-9-8-19-17(22)13-4-6-14(7-5-13)18(23)20-11-15-10-16(24-21-15)12-2-3-12/h4-10,12H,2-3,11H2,1H3,(H,20,23)
InChIKeyWTJAJUDSLCXKBV-UHFFFAOYSA-N
XLogP2.88
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-5-hydroxybenzoate
CID 122570211
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide;formic acid
CID 163341206
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide
CID 16866853
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(1-methylimidazol-2-yl)benzamide
CID 126448828
5-cyclopropyl-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71797530
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 121497375
4-(1-methylimidazol-2-yl)benzoic acid
CID 23009409
4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605
2-amino-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70739341
3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866600
4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866729
6-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide
CID 62160023

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(1-methylimidazol-2-yl)benzamide?
The IUPAC name of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(1-methylimidazol-2-yl)benzamide (CID 119074837) is N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(1-methylimidazol-2-yl)benzamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(1-methylimidazol-2-yl)benzamide?
The canonical SMILES for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(1-methylimidazol-2-yl)benzamide is Cn1ccnc1-c1ccc(C(=O)NCc2cc(C3CC3)on2)cc1.
What is the InChIKey of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(1-methylimidazol-2-yl)benzamide?
The InChIKey is WTJAJUDSLCXKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-22-9-8-19-17(22)13-4-6-14(7-5-13)18(23)20-11-15-10-16(24-21-15)12-2-3-12/h4-10,12H,2-3,11H2,1H3,(H,20,23).
What are the key properties of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(1-methylimidazol-2-yl)benzamide?
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(1-methylimidazol-2-yl)benzamide has a molecular weight of 322.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(1-methylimidazol-2-yl)benzamide is sourced from PubChem (CID 119074837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).