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

C14H14N2O2 — CID 18531924

IUPAC(Z)-3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C\Nc2cc(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/b8-7-
InChIKeyWODWLZHDGOJNNC-FPLPWBNLSA-N
MW242.28 g/mol
LogP3.10
Rot. Bonds4

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

(Z)-3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one (PubChem CID 18531924) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (Z)-3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one
PubChem CID18531924
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(Z)-3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C\Nc2cc(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/b8-7-
InChIKeyWODWLZHDGOJNNC-FPLPWBNLSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one (CID 18531924) is (Z)-3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one is Cc1ccc(C(=O)/C=C\Nc2cc(C)no2)cc1.
What is the InChIKey of (Z)-3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one?
The InChIKey is WODWLZHDGOJNNC-FPLPWBNLSA-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/b8-7-.
What are the key properties of (Z)-3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one?
(Z)-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 (Z)-3-[(3-methyl-1,2-oxazol-5-yl)amino]-1-(4-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 18531924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).