N-[2-(4-ethylphenyl)ethyl]-3-(1,3-oxazol-4-yl)prop-2-enamide

C16H18N2O2 — CID 136574328

IUPACN-[2-(4-ethylphenyl)ethyl]-3-(1,3-oxazol-4-yl)prop-2-enamide
SMILESCCc1ccc(CCNC(=O)C=Cc2cocn2)cc1
InChIInChI=1S/C16H18N2O2/c1-2-13-3-5-14(6-4-13)9-10-17-16(19)8-7-15-11-20-12-18-15/h3-8,11-12H,2,9-10H2,1H3,(H,17,19)
InChIKeyCHJGLVRJCKTWJO-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.61
Rot. Bonds6

About N-[2-(4-ethylphenyl)ethyl]-3-(1,3-oxazol-4-yl)prop-2-enamide

N-[2-(4-ethylphenyl)ethyl]-3-(1,3-oxazol-4-yl)prop-2-enamide (PubChem CID 136574328) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)ethyl]-3-(1,3-oxazol-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)ethyl]-3-(1,3-oxazol-4-yl)prop-2-enamide
PubChem CID136574328
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[2-(4-ethylphenyl)ethyl]-3-(1,3-oxazol-4-yl)prop-2-enamide
SMILESCCc1ccc(CCNC(=O)C=Cc2cocn2)cc1
InChIInChI=1S/C16H18N2O2/c1-2-13-3-5-14(6-4-13)9-10-17-16(19)8-7-15-11-20-12-18-15/h3-8,11-12H,2,9-10H2,1H3,(H,17,19)
InChIKeyCHJGLVRJCKTWJO-UHFFFAOYSA-N
XLogP2.61
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.61
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-(4-ethylphenyl)ethyl]-3-(1,3-oxazol-4-yl)prop-2-enamide?
The IUPAC name of N-[2-(4-ethylphenyl)ethyl]-3-(1,3-oxazol-4-yl)prop-2-enamide (CID 136574328) is N-[2-(4-ethylphenyl)ethyl]-3-(1,3-oxazol-4-yl)prop-2-enamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)ethyl]-3-(1,3-oxazol-4-yl)prop-2-enamide?
The canonical SMILES for N-[2-(4-ethylphenyl)ethyl]-3-(1,3-oxazol-4-yl)prop-2-enamide is CCc1ccc(CCNC(=O)C=Cc2cocn2)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)ethyl]-3-(1,3-oxazol-4-yl)prop-2-enamide?
The InChIKey is CHJGLVRJCKTWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-13-3-5-14(6-4-13)9-10-17-16(19)8-7-15-11-20-12-18-15/h3-8,11-12H,2,9-10H2,1H3,(H,17,19).
What are the key properties of N-[2-(4-ethylphenyl)ethyl]-3-(1,3-oxazol-4-yl)prop-2-enamide?
N-[2-(4-ethylphenyl)ethyl]-3-(1,3-oxazol-4-yl)prop-2-enamide has a molecular weight of 270.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)ethyl]-3-(1,3-oxazol-4-yl)prop-2-enamide is sourced from PubChem (CID 136574328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).