N-[[2-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide

C23H23N3O4 — CID 166421871

IUPACN-[[2-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccccc1CC(=O)NCc1cc(-c2ccccc2OC)no1
InChIInChI=1S/C23H23N3O4/c1-3-22(27)24-14-17-9-5-4-8-16(17)12-23(28)25-15-18-13-20(26-30-18)19-10-6-7-11-21(19)29-2/h3-11,13H,1,12,14-15H2,2H3,(H,24,27)(H,25,28)
InChIKeyOZRDGDKOHFJKGR-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.01
Rot. Bonds9

About N-[[2-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide

N-[[2-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide (PubChem CID 166421871) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[[2-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[2-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide
PubChem CID166421871
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[[2-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccccc1CC(=O)NCc1cc(-c2ccccc2OC)no1
InChIInChI=1S/C23H23N3O4/c1-3-22(27)24-14-17-9-5-4-8-16(17)12-23(28)25-15-18-13-20(26-30-18)19-10-6-7-11-21(19)29-2/h3-11,13H,1,12,14-15H2,2H3,(H,24,27)(H,25,28)
InChIKeyOZRDGDKOHFJKGR-UHFFFAOYSA-N
XLogP3.01
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.01
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

N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
CID 138465234
N-[[6-(2-methoxyphenyl)-3-pyridinyl]methyl]prop-2-enamide
CID 172887450
N-[[2-[2-[(3,4-dimethylphenyl)methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide
CID 167791724
1-[1-(dimethylamino)propan-2-yl]-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172662811
4-(2-cyclopentylethynyl)-3-fluoro-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzamide
CID 166024596
N-[[2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]phenyl]methyl]prop-2-enamide
CID 166421835
N-[(2-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330856
N-[(2-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110410122
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 155557257
N-(3-bromo-4-methoxyphenyl)-2-[(prop-2-enoylamino)methyl]benzamide
CID 167913002
methyl 1-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-oxoethyl]indole-3-carboxylate
CID 30090937
5-[(2-bromophenyl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
CID 24585123

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide?
The IUPAC name of N-[[2-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide (CID 166421871) is N-[[2-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[2-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[2-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide is C=CC(=O)NCc1ccccc1CC(=O)NCc1cc(-c2ccccc2OC)no1.
What is the InChIKey of N-[[2-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide?
The InChIKey is OZRDGDKOHFJKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-3-22(27)24-14-17-9-5-4-8-16(17)12-23(28)25-15-18-13-20(26-30-18)19-10-6-7-11-21(19)29-2/h3-11,13H,1,12,14-15H2,2H3,(H,24,27)(H,25,28).
What are the key properties of N-[[2-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide?
N-[[2-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide has a molecular weight of 405.45 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 166421871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).