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

C14H14N2O2 — CID 5100975

IUPAC3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)C=CNc2cc(C)no2)cc1
InChIInChI=1S/C14H14N2O2/c1-10-3-5-12(6-4-10)13(17)7-8-15-14-9-11(2)16-18-14/h3-9,15H,1-2H3
InChIKeyWODWLZHDGOJNNC-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.10
Rot. Bonds4

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

3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one (PubChem CID 5100975) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one
PubChem CID5100975
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)C=CNc2cc(C)no2)cc1
InChIInChI=1S/C14H14N2O2/c1-10-3-5-12(6-4-10)13(17)7-8-15-14-9-11(2)16-18-14/h3-9,15H,1-2H3
InChIKeyWODWLZHDGOJNNC-UHFFFAOYSA-N
XLogP3.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one
CID 18531924
(E)-3-(4-methylanilino)-1-(4-methylphenyl)prop-2-en-1-one
CID 2267437
1-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-en-1-one
CID 801067
(E)-1-(4-chlorophenyl)-3-(4-methylanilino)prop-2-en-1-one
CID 2290968
3-(3,4-difluoroanilino)-1-(4-methylphenyl)prop-2-en-1-one
CID 171146601
(E)-1-(4-tert-butylphenyl)-3-(4-methylanilino)prop-2-en-1-one
CID 139030212
3-(4-methylanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 2917270
(E)-4-[(3-methyl-1,2-oxazol-5-yl)amino]-4-oxobut-2-enoic acid
CID 65486420
4-methyl-N'-[(Z)-3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide
CID 5370777
4-methyl-N'-[3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide
CID 576888
3-(4-bromo-3-chloroanilino)-1-(4-methylphenyl)prop-2-en-1-one
CID 1369200
(E)-1-(4-methylphenyl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one
CID 2267875

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one?
The IUPAC name of 3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one (CID 5100975) is 3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one?
The canonical SMILES for 3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one is Cc1ccc(C(=O)C=CNc2cc(C)no2)cc1.
What is the InChIKey of 3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one?
The InChIKey is WODWLZHDGOJNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-3-5-12(6-4-10)13(17)7-8-15-14-9-11(2)16-18-14/h3-9,15H,1-2H3.
What are the key properties of 3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one?
3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one has a molecular weight of 242.28 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 5100975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).