3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)prop-2-en-1-one

C14H14N2O2 — CID 2745542

IUPAC3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)prop-2-en-1-one
SMILESCN(C)C=CC(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C14H14N2O2/c1-16(2)9-8-13(17)14-10-12(15-18-14)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyDRKZQCQCWXVECH-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.60
Rot. Bonds4

About 3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)prop-2-en-1-one

3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)prop-2-en-1-one (PubChem CID 2745542) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)prop-2-en-1-one
PubChem CID2745542
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)prop-2-en-1-one
SMILESCN(C)C=CC(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C14H14N2O2/c1-16(2)9-8-13(17)14-10-12(15-18-14)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyDRKZQCQCWXVECH-UHFFFAOYSA-N
XLogP2.60
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-1-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]prop-2-en-1-one
CID 2745740
1-(3-phenyl-1,2-oxazol-5-yl)butan-1-one
CID 10130602
3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 737448
N-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119584563
N-[(2-bromophenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 46482012
N-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 107202129
N-(3-tert-butylcyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 121439934
1-(3-phenyl-1,2-oxazol-5-yl)ethenamine
CID 143747120
4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119188577
(E,2E)-2-[(cyclohexylamino)-methylsulfanylmethylidene]-5-oxo-5-(3-phenyl-1,2-oxazol-5-yl)pent-3-enenitrile
CID 143283546
(2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61137160
3-(dimethylamino)-1-[2-phenyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 175410196

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)prop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)prop-2-en-1-one (CID 2745542) is 3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)prop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)prop-2-en-1-one is CN(C)C=CC(=O)c1cc(-c2ccccc2)no1.
What is the InChIKey of 3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)prop-2-en-1-one?
The InChIKey is DRKZQCQCWXVECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-16(2)9-8-13(17)14-10-12(15-18-14)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)prop-2-en-1-one?
3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)prop-2-en-1-one has a molecular weight of 242.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)prop-2-en-1-one is sourced from PubChem (CID 2745542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).