N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide

C27H24N2O5 — CID 67047065

IUPACN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2ccc(-c3cnco3)c(OC)c2)ccc1OCc1ccccc1
InChIInChI=1S/C27H24N2O5/c1-31-24-15-21(10-11-22(24)26-16-28-18-34-26)29-27(30)13-9-19-8-12-23(25(14-19)32-2)33-17-20-6-4-3-5-7-20/h3-16,18H,17H2,1-2H3,(H,29,30)
InChIKeyQEIWXFPMJKKPNZ-UHFFFAOYSA-N
MW456.50 g/mol
LogP5.59
Rot. Bonds9

About N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 67047065) has the molecular formula C27H24N2O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
PubChem CID67047065
Molecular FormulaC27H24N2O5
Molecular Weight456.50 g/mol
Exact Mass456.17
IUPAC NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2ccc(-c3cnco3)c(OC)c2)ccc1OCc1ccccc1
InChIInChI=1S/C27H24N2O5/c1-31-24-15-21(10-11-22(24)26-16-28-18-34-26)29-27(30)13-9-19-8-12-23(25(14-19)32-2)33-17-20-6-4-3-5-7-20/h3-16,18H,17H2,1-2H3,(H,29,30)
InChIKeyQEIWXFPMJKKPNZ-UHFFFAOYSA-N
XLogP5.59
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.50
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 67046782
(E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188948
(E)-N-[4-(dimethylamino)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1190683
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 67046910
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide
CID 10338010
(E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188946
propyl 4-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoylamino]benzoate
CID 3278216
(E)-3-(3,4-diethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide
CID 78890153
(E)-N-benzyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188981
3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenylmethoxyphenyl)prop-2-enamide
CID 4132325
N-(4-acetamidophenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 3454977
2-[[(E)-3-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid
CID 24855510

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide (CID 67047065) is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide is COc1cc(C=CC(=O)Nc2ccc(-c3cnco3)c(OC)c2)ccc1OCc1ccccc1.
What is the InChIKey of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is QEIWXFPMJKKPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5/c1-31-24-15-21(10-11-22(24)26-16-28-18-34-26)29-27(30)13-9-19-8-12-23(25(14-19)32-2)33-17-20-6-4-3-5-7-20/h3-16,18H,17H2,1-2H3,(H,29,30).
What are the key properties of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide?
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide has a molecular weight of 456.50 g/mol, XLogP of 5.59, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 67047065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).