3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide

C18H22N2O3 — CID 53161730

IUPAC3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc(-c2nocc2CCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H22N2O3/c1-13-4-6-14(7-5-13)18-15(12-23-20-18)8-9-17(21)19-11-16-3-2-10-22-16/h4-7,12,16H,2-3,8-11H2,1H3,(H,19,21)
InChIKeyBLAZIRBTDVDDAS-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.88
Rot. Bonds6

About 3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide

3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 53161730) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID53161730
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc(-c2nocc2CCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H22N2O3/c1-13-4-6-14(7-5-13)18-15(12-23-20-18)8-9-17(21)19-11-16-3-2-10-22-16/h4-7,12,16H,2-3,8-11H2,1H3,(H,19,21)
InChIKeyBLAZIRBTDVDDAS-UHFFFAOYSA-N
XLogP2.88
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 53161730) is 3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide is Cc1ccc(-c2nocc2CCC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is BLAZIRBTDVDDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-4-6-14(7-5-13)18-15(12-23-20-18)8-9-17(21)19-11-16-3-2-10-22-16/h4-7,12,16H,2-3,8-11H2,1H3,(H,19,21).
What are the key properties of 3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 314.38 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 53161730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).