N-(2,5-dimethyl-3-phenyl-5H-1,2-oxazol-4-yl)prop-2-enamide

C14H16N2O2 — CID 54558340

IUPACN-(2,5-dimethyl-3-phenyl-5H-1,2-oxazol-4-yl)prop-2-enamide
SMILESC=CC(=O)NC1=C(c2ccccc2)N(C)OC1C
InChIInChI=1S/C14H16N2O2/c1-4-12(17)15-13-10(2)18-16(3)14(13)11-8-6-5-7-9-11/h4-10H,1H2,2-3H3,(H,15,17)
InChIKeyZOTRJFAWBWXVSP-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.92
Rot. Bonds3

About N-(2,5-dimethyl-3-phenyl-5H-1,2-oxazol-4-yl)prop-2-enamide

N-(2,5-dimethyl-3-phenyl-5H-1,2-oxazol-4-yl)prop-2-enamide (PubChem CID 54558340) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2,5-dimethyl-3-phenyl-5H-1,2-oxazol-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-3-phenyl-5H-1,2-oxazol-4-yl)prop-2-enamide
PubChem CID54558340
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(2,5-dimethyl-3-phenyl-5H-1,2-oxazol-4-yl)prop-2-enamide
SMILESC=CC(=O)NC1=C(c2ccccc2)N(C)OC1C
InChIInChI=1S/C14H16N2O2/c1-4-12(17)15-13-10(2)18-16(3)14(13)11-8-6-5-7-9-11/h4-10H,1H2,2-3H3,(H,15,17)
InChIKeyZOTRJFAWBWXVSP-UHFFFAOYSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-3-phenyl-5H-1,2-oxazol-4-yl)prop-2-enamide?
The IUPAC name of N-(2,5-dimethyl-3-phenyl-5H-1,2-oxazol-4-yl)prop-2-enamide (CID 54558340) is N-(2,5-dimethyl-3-phenyl-5H-1,2-oxazol-4-yl)prop-2-enamide.
What is the SMILES notation for N-(2,5-dimethyl-3-phenyl-5H-1,2-oxazol-4-yl)prop-2-enamide?
The canonical SMILES for N-(2,5-dimethyl-3-phenyl-5H-1,2-oxazol-4-yl)prop-2-enamide is C=CC(=O)NC1=C(c2ccccc2)N(C)OC1C.
What is the InChIKey of N-(2,5-dimethyl-3-phenyl-5H-1,2-oxazol-4-yl)prop-2-enamide?
The InChIKey is ZOTRJFAWBWXVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-4-12(17)15-13-10(2)18-16(3)14(13)11-8-6-5-7-9-11/h4-10H,1H2,2-3H3,(H,15,17).
What are the key properties of N-(2,5-dimethyl-3-phenyl-5H-1,2-oxazol-4-yl)prop-2-enamide?
N-(2,5-dimethyl-3-phenyl-5H-1,2-oxazol-4-yl)prop-2-enamide has a molecular weight of 244.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-3-phenyl-5H-1,2-oxazol-4-yl)prop-2-enamide is sourced from PubChem (CID 54558340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).