(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(2-fluoro-5-methylphenyl)prop-2-enamide

C23H23FN2O4 — CID 32980348

IUPAC(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(2-fluoro-5-methylphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cc(C)ccc2F)ccc1OCc1c(C)noc1C
InChIInChI=1S/C23H23FN2O4/c1-14-5-8-19(24)20(11-14)25-23(27)10-7-17-6-9-21(22(12-17)28-4)29-13-18-15(2)26-30-16(18)3/h5-12H,13H2,1-4H3,(H,25,27)/b10-7+
InChIKeyDKRMOCMRRQPOGW-JXMROGBWSA-N
MW410.45 g/mol
LogP4.98
Rot. Bonds7

About (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(2-fluoro-5-methylphenyl)prop-2-enamide

(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(2-fluoro-5-methylphenyl)prop-2-enamide (PubChem CID 32980348) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(2-fluoro-5-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(2-fluoro-5-methylphenyl)prop-2-enamide
PubChem CID32980348
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC Name(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(2-fluoro-5-methylphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cc(C)ccc2F)ccc1OCc1c(C)noc1C
InChIInChI=1S/C23H23FN2O4/c1-14-5-8-19(24)20(11-14)25-23(27)10-7-17-6-9-21(22(12-17)28-4)29-13-18-15(2)26-30-16(18)3/h5-12H,13H2,1-4H3,(H,25,27)/b10-7+
InChIKeyDKRMOCMRRQPOGW-JXMROGBWSA-N
XLogP4.98
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2,4-dichlorophenyl)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 35539849
2-[[(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enoyl]amino]benzoic acid
CID 135290061
(E)-N-(5-acetamido-2-chlorophenyl)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 55915825
2-[3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]prop-2-enoylamino]benzoic acid
CID 74334429
(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(2,4,6-trimethyl-3-pyridinyl)prop-2-enamide
CID 78859878
(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(3-methylbutan-2-yl)prop-2-enamide
CID 78780148
(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78856884
(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 55359320
3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide
CID 75128807
(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 32965222
(E)-N-(2,5-dimethylphenyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 51058331
4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
CID 71103207

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(2-fluoro-5-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(2-fluoro-5-methylphenyl)prop-2-enamide (CID 32980348) is (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(2-fluoro-5-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(2-fluoro-5-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(2-fluoro-5-methylphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2cc(C)ccc2F)ccc1OCc1c(C)noc1C.
What is the InChIKey of (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(2-fluoro-5-methylphenyl)prop-2-enamide?
The InChIKey is DKRMOCMRRQPOGW-JXMROGBWSA-N. The full InChI is InChI=1S/C23H23FN2O4/c1-14-5-8-19(24)20(11-14)25-23(27)10-7-17-6-9-21(22(12-17)28-4)29-13-18-15(2)26-30-16(18)3/h5-12H,13H2,1-4H3,(H,25,27)/b10-7+.
What are the key properties of (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(2-fluoro-5-methylphenyl)prop-2-enamide?
(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(2-fluoro-5-methylphenyl)prop-2-enamide has a molecular weight of 410.45 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(2-fluoro-5-methylphenyl)prop-2-enamide is sourced from PubChem (CID 32980348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).