4-methyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide

C19H24N2O3 — CID 118536696

IUPAC4-methyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1c(C(=O)NCC2CCOC2)noc1CCCc1ccccc1
InChIInChI=1S/C19H24N2O3/c1-14-17(9-5-8-15-6-3-2-4-7-15)24-21-18(14)19(22)20-12-16-10-11-23-13-16/h2-4,6-7,16H,5,8-13H2,1H3,(H,20,22)
InChIKeyXYIBPJLDYZITPT-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.92
Rot. Bonds7

About 4-methyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide

4-methyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 118536696) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-methyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID118536696
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-methyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1c(C(=O)NCC2CCOC2)noc1CCCc1ccccc1
InChIInChI=1S/C19H24N2O3/c1-14-17(9-5-8-15-6-3-2-4-7-15)24-21-18(14)19(22)20-12-16-10-11-23-13-16/h2-4,6-7,16H,5,8-13H2,1H3,(H,20,22)
InChIKeyXYIBPJLDYZITPT-UHFFFAOYSA-N
XLogP2.92
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-methyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide (CID 118536696) is 4-methyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide is Cc1c(C(=O)NCC2CCOC2)noc1CCCc1ccccc1.
What is the InChIKey of 4-methyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XYIBPJLDYZITPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-17(9-5-8-15-6-3-2-4-7-15)24-21-18(14)19(22)20-12-16-10-11-23-13-16/h2-4,6-7,16H,5,8-13H2,1H3,(H,20,22).
What are the key properties of 4-methyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
4-methyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118536696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).