N-(4-methyl-1,3-oxazol-2-yl)-N-prop-2-enylbenzamide

C14H14N2O2 — CID 21323601

IUPACN-(4-methyl-1,3-oxazol-2-yl)-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccccc1)c1nc(C)co1
InChIInChI=1S/C14H14N2O2/c1-3-9-16(14-15-11(2)10-18-14)13(17)12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3
InChIKeyZEQOLFXDBOYJFX-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.82
Rot. Bonds4

About N-(4-methyl-1,3-oxazol-2-yl)-N-prop-2-enylbenzamide

N-(4-methyl-1,3-oxazol-2-yl)-N-prop-2-enylbenzamide (PubChem CID 21323601) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(4-methyl-1,3-oxazol-2-yl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-oxazol-2-yl)-N-prop-2-enylbenzamide
PubChem CID21323601
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-(4-methyl-1,3-oxazol-2-yl)-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccccc1)c1nc(C)co1
InChIInChI=1S/C14H14N2O2/c1-3-9-16(14-15-11(2)10-18-14)13(17)12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3
InChIKeyZEQOLFXDBOYJFX-UHFFFAOYSA-N
XLogP2.82
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-oxazol-2-yl)-N-prop-2-enylbenzamide?
The IUPAC name of N-(4-methyl-1,3-oxazol-2-yl)-N-prop-2-enylbenzamide (CID 21323601) is N-(4-methyl-1,3-oxazol-2-yl)-N-prop-2-enylbenzamide.
What is the SMILES notation for N-(4-methyl-1,3-oxazol-2-yl)-N-prop-2-enylbenzamide?
The canonical SMILES for N-(4-methyl-1,3-oxazol-2-yl)-N-prop-2-enylbenzamide is C=CCN(C(=O)c1ccccc1)c1nc(C)co1.
What is the InChIKey of N-(4-methyl-1,3-oxazol-2-yl)-N-prop-2-enylbenzamide?
The InChIKey is ZEQOLFXDBOYJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-3-9-16(14-15-11(2)10-18-14)13(17)12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3.
What are the key properties of N-(4-methyl-1,3-oxazol-2-yl)-N-prop-2-enylbenzamide?
N-(4-methyl-1,3-oxazol-2-yl)-N-prop-2-enylbenzamide has a molecular weight of 242.28 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-oxazol-2-yl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 21323601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).