1-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-en-1-one

C14H14N2O3 — CID 801067

IUPAC1-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-en-1-one
SMILESCOc1ccc(C(=O)C=CNc2cc(C)on2)cc1
InChIInChI=1S/C14H14N2O3/c1-10-9-14(16-19-10)15-8-7-13(17)11-3-5-12(18-2)6-4-11/h3-9H,1-2H3,(H,15,16)
InChIKeyOIDXGHXOFURKRF-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.80
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-en-1-one

1-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-en-1-one (PubChem CID 801067) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-en-1-one
PubChem CID801067
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-en-1-one
SMILESCOc1ccc(C(=O)C=CNc2cc(C)on2)cc1
InChIInChI=1S/C14H14N2O3/c1-10-9-14(16-19-10)15-8-7-13(17)11-3-5-12(18-2)6-4-11/h3-9H,1-2H3,(H,15,16)
InChIKeyOIDXGHXOFURKRF-UHFFFAOYSA-N
XLogP2.80
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.80
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)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]prop-2-en-1-one
CID 162787515
1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one
CID 135086544
(E)-3-(2-chloro-5-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 27013706
(E)-3-(3-chloro-4-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 6025582
3-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 818487
(E)-3-(4-chloro-2-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 6188155
3-(5-chloro-2-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 799053
(Z)-3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one
CID 18531924
3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 758643
3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one
CID 5100975
3-chloro-1-(4-methoxyphenyl)prop-2-en-1-one
CID 27468
(E)-1-(4-bromophenyl)-3-(5-methoxy-2-methylanilino)prop-2-en-1-one
CID 51045775

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-en-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-en-1-one (CID 801067) is 1-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-en-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-en-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-en-1-one is COc1ccc(C(=O)C=CNc2cc(C)on2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-en-1-one?
The InChIKey is OIDXGHXOFURKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-10-9-14(16-19-10)15-8-7-13(17)11-3-5-12(18-2)6-4-11/h3-9H,1-2H3,(H,15,16).
What are the key properties of 1-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-en-1-one?
1-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-en-1-one has a molecular weight of 258.28 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-en-1-one is sourced from PubChem (CID 801067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).