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

C18H20N4O2 — CID 71860013

IUPAC3-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCc2nccn2CCCc2ccccc2)on1
InChIInChI=1S/C18H20N4O2/c1-14-12-16(24-21-14)18(23)20-13-17-19-9-11-22(17)10-5-8-15-6-3-2-4-7-15/h2-4,6-7,9,11-12H,5,8,10,13H2,1H3,(H,20,23)
InChIKeyKPIGASZBXAIGFC-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.74
Rot. Bonds7

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

3-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 71860013) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID71860013
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCc2nccn2CCCc2ccccc2)on1
InChIInChI=1S/C18H20N4O2/c1-14-12-16(24-21-14)18(23)20-13-17-19-9-11-22(17)10-5-8-15-6-3-2-4-7-15/h2-4,6-7,9,11-12H,5,8,10,13H2,1H3,(H,20,23)
InChIKeyKPIGASZBXAIGFC-UHFFFAOYSA-N
XLogP2.74
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-5-carboxamide (CID 71860013) is 3-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCc2nccn2CCCc2ccccc2)on1.
What is the InChIKey of 3-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is KPIGASZBXAIGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-14-12-16(24-21-14)18(23)20-13-17-19-9-11-22(17)10-5-8-15-6-3-2-4-7-15/h2-4,6-7,9,11-12H,5,8,10,13H2,1H3,(H,20,23).
What are the key properties of 3-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71860013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).