(E)-4-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-(4-methylphenyl)pent-2-enamide

C19H24N2O2 — CID 110632386

IUPAC(E)-4-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-(4-methylphenyl)pent-2-enamide
SMILESCc1ccc(/C(=C/C(=O)NCCc2cc(C)on2)C(C)C)cc1
InChIInChI=1S/C19H24N2O2/c1-13(2)18(16-7-5-14(3)6-8-16)12-19(22)20-10-9-17-11-15(4)23-21-17/h5-8,11-13H,9-10H2,1-4H3,(H,20,22)/b18-12+
InChIKeyHLYAJSFUUMPUBQ-LDADJPATSA-N
MW312.41 g/mol
LogP3.69
Rot. Bonds6

About (E)-4-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-(4-methylphenyl)pent-2-enamide

(E)-4-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-(4-methylphenyl)pent-2-enamide (PubChem CID 110632386) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (E)-4-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-(4-methylphenyl)pent-2-enamide.

Molecular Properties

Compound Name(E)-4-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-(4-methylphenyl)pent-2-enamide
PubChem CID110632386
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(E)-4-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-(4-methylphenyl)pent-2-enamide
SMILESCc1ccc(/C(=C/C(=O)NCCc2cc(C)on2)C(C)C)cc1
InChIInChI=1S/C19H24N2O2/c1-13(2)18(16-7-5-14(3)6-8-16)12-19(22)20-10-9-17-11-15(4)23-21-17/h5-8,11-13H,9-10H2,1-4H3,(H,20,22)/b18-12+
InChIKeyHLYAJSFUUMPUBQ-LDADJPATSA-N
XLogP3.69
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.69
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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Related Compounds

(E)-4-methyl-3-(4-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pent-2-enamide
CID 110422689
4-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-(4-methylphenyl)pentanamide
CID 110354876
(E)-N-[3-(dimethylamino)propyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide
CID 110408197
N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 110310794
N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 110313956
2-(5-methyl-1,2-oxazol-3-yl)-N-[4-(4-methylphenyl)butyl]acetamide
CID 110627918
N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110632426
2,3-bis(4-fluorophenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide
CID 110310825
4-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-methylsulfonylbenzamide
CID 110632422
3,4,5-triethoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]benzamide
CID 110293888
5-methyl-N'-(4-methylbenzoyl)-1,2-oxazole-3-carbohydrazide
CID 4109679
2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 110622231

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-(4-methylphenyl)pent-2-enamide?
The IUPAC name of (E)-4-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-(4-methylphenyl)pent-2-enamide (CID 110632386) is (E)-4-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-(4-methylphenyl)pent-2-enamide.
What is the SMILES notation for (E)-4-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-(4-methylphenyl)pent-2-enamide?
The canonical SMILES for (E)-4-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-(4-methylphenyl)pent-2-enamide is Cc1ccc(/C(=C/C(=O)NCCc2cc(C)on2)C(C)C)cc1.
What is the InChIKey of (E)-4-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-(4-methylphenyl)pent-2-enamide?
The InChIKey is HLYAJSFUUMPUBQ-LDADJPATSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(2)18(16-7-5-14(3)6-8-16)12-19(22)20-10-9-17-11-15(4)23-21-17/h5-8,11-13H,9-10H2,1-4H3,(H,20,22)/b18-12+.
What are the key properties of (E)-4-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-(4-methylphenyl)pent-2-enamide?
(E)-4-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-(4-methylphenyl)pent-2-enamide has a molecular weight of 312.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-(4-methylphenyl)pent-2-enamide is sourced from PubChem (CID 110632386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).