(E)-3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide

C13H11ClN2O2 — CID 898744

IUPAC(E)-3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)no1
InChIInChI=1S/C13H11ClN2O2/c1-9-8-12(16-18-9)15-13(17)7-4-10-2-5-11(14)6-3-10/h2-8H,1H3,(H,15,16,17)/b7-4+
InChIKeyHLYYKOZGSITHEF-QPJJXVBHSA-N
MW262.70 g/mol
LogP3.29
Rot. Bonds3

About (E)-3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide

(E)-3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide (PubChem CID 898744) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
PubChem CID898744
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name(E)-3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)no1
InChIInChI=1S/C13H11ClN2O2/c1-9-8-12(16-18-9)15-13(17)7-4-10-2-5-11(14)6-3-10/h2-8H,1H3,(H,15,16,17)/b7-4+
InChIKeyHLYYKOZGSITHEF-QPJJXVBHSA-N
XLogP3.29
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dichloro-N-(5-methyl-3-isoxazolyl)benzamide
CID 670270
Benzamide, N-(5-methyl-3-isoxazolyl)-
CID 569560
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-5-nitrobenzamide
CID 694855
4-chloro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
CID 739409
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzamide
CID 739526
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 840302
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 3099031
2-chloro-4,5-difluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 686793
3-(4-bromophenyl)-N-(5-methyl-3-isoxazolyl)acrylamide
CID 845005
3-(2-chlorophenyl)-N-(5-methyl-3-isoxazolyl)acrylamide
CID 885080
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-chlorophenyl)methyl]piperidine-2-carboxamide
CID 46873412
1-(4-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea
CID 290471

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide (CID 898744) is (E)-3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide is Cc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)no1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide?
The InChIKey is HLYYKOZGSITHEF-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-9-8-12(16-18-9)15-13(17)7-4-10-2-5-11(14)6-3-10/h2-8H,1H3,(H,15,16,17)/b7-4+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide has a molecular weight of 262.70 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide is sourced from PubChem (CID 898744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).