(E)-3-(4-acetamidophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]prop-2-enamide

C18H20N4O4 — CID 51334153

IUPAC(E)-3-(4-acetamidophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]prop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)N(C)CC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C18H20N4O4/c1-12-10-16(21-26-12)20-17(24)11-22(3)18(25)9-6-14-4-7-15(8-5-14)19-13(2)23/h4-10H,11H2,1-3H3,(H,19,23)(H,20,21,24)/b9-6+
InChIKeyHJJRBCZCIPAROY-RMKNXTFCSA-N
MW356.38 g/mol
LogP2.05
Rot. Bonds6

About (E)-3-(4-acetamidophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]prop-2-enamide

(E)-3-(4-acetamidophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]prop-2-enamide (PubChem CID 51334153) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is (E)-3-(4-acetamidophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetamidophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]prop-2-enamide
PubChem CID51334153
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name(E)-3-(4-acetamidophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]prop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)N(C)CC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C18H20N4O4/c1-12-10-16(21-26-12)20-17(24)11-22(3)18(25)9-6-14-4-7-15(8-5-14)19-13(2)23/h4-10H,11H2,1-3H3,(H,19,23)(H,20,21,24)/b9-6+
InChIKeyHJJRBCZCIPAROY-RMKNXTFCSA-N
XLogP2.05
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]prop-2-enamide
CID 9494338
(E)-3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]prop-2-enamide
CID 2127655
(E)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 52549104
2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947011
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51271019
2,3-dimethyl-4-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobut-2-enoic acid
CID 76993005
(E)-N-(2-anilino-2-oxoethyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide
CID 46425147
(E)-N-[2-(4-chloroanilino)-2-oxoethyl]-3-(3-chloro-4-fluorophenyl)-N-methylprop-2-enamide
CID 9417262
(E)-3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 7936691
(E)-3-(4-bromophenyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9417172
N,N-dimethyl-4-[(E)-3-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]benzamide
CID 110427027
2-amino-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 61265039

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetamidophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-acetamidophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]prop-2-enamide (CID 51334153) is (E)-3-(4-acetamidophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetamidophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-acetamidophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]prop-2-enamide is CC(=O)Nc1ccc(/C=C/C(=O)N(C)CC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of (E)-3-(4-acetamidophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]prop-2-enamide?
The InChIKey is HJJRBCZCIPAROY-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-12-10-16(21-26-12)20-17(24)11-22(3)18(25)9-6-14-4-7-15(8-5-14)19-13(2)23/h4-10H,11H2,1-3H3,(H,19,23)(H,20,21,24)/b9-6+.
What are the key properties of (E)-3-(4-acetamidophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]prop-2-enamide?
(E)-3-(4-acetamidophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]prop-2-enamide has a molecular weight of 356.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetamidophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 51334153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).