3,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-4-carboxamide

C19H22N4O2 — CID 71975236

IUPAC3,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1nccn1CCCc1ccccc1
InChIInChI=1S/C19H22N4O2/c1-14-18(15(2)25-22-14)19(24)21-13-17-20-10-12-23(17)11-6-9-16-7-4-3-5-8-16/h3-5,7-8,10,12H,6,9,11,13H2,1-2H3,(H,21,24)
InChIKeyBWRMJTIGQYVEDA-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.05
Rot. Bonds7

About 3,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 71975236) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID71975236
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1nccn1CCCc1ccccc1
InChIInChI=1S/C19H22N4O2/c1-14-18(15(2)25-22-14)19(24)21-13-17-20-10-12-23(17)11-6-9-16-7-4-3-5-8-16/h3-5,7-8,10,12H,6,9,11,13H2,1-2H3,(H,21,24)
InChIKeyBWRMJTIGQYVEDA-UHFFFAOYSA-N
XLogP3.05
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 71975235
2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
CID 119898590
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71975541
1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 71923566
2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221649
1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea
CID 154766739
(2R)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
CID 96570710
4-amino-3-methoxy-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
CID 120597418
2-(2-aminoethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120647670
3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 17218078
3-(2-aminophenyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
CID 120613454
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide
CID 71975238

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-4-carboxamide (CID 71975236) is 3,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCc1nccn1CCCc1ccccc1.
What is the InChIKey of 3,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is BWRMJTIGQYVEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-18(15(2)25-22-14)19(24)21-13-17-20-10-12-23(17)11-6-9-16-7-4-3-5-8-16/h3-5,7-8,10,12H,6,9,11,13H2,1-2H3,(H,21,24).
What are the key properties of 3,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 71975236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).