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

C15H15FN2O2 — CID 171147775

IUPAC3-(dimethylamino)-1-[2-(3-fluorophenyl)-4-methyl-1,3-oxazol-5-yl]prop-2-en-1-one
SMILESCc1nc(-c2cccc(F)c2)oc1C(=O)C=CN(C)C
InChIInChI=1S/C15H15FN2O2/c1-10-14(13(19)7-8-18(2)3)20-15(17-10)11-5-4-6-12(16)9-11/h4-9H,1-3H3
InChIKeyUNOATSBOMMTHBJ-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.05
Rot. Bonds4

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

3-(dimethylamino)-1-[2-(3-fluorophenyl)-4-methyl-1,3-oxazol-5-yl]prop-2-en-1-one (PubChem CID 171147775) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[2-(3-fluorophenyl)-4-methyl-1,3-oxazol-5-yl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[2-(3-fluorophenyl)-4-methyl-1,3-oxazol-5-yl]prop-2-en-1-one
PubChem CID171147775
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name3-(dimethylamino)-1-[2-(3-fluorophenyl)-4-methyl-1,3-oxazol-5-yl]prop-2-en-1-one
SMILESCc1nc(-c2cccc(F)c2)oc1C(=O)C=CN(C)C
InChIInChI=1S/C15H15FN2O2/c1-10-14(13(19)7-8-18(2)3)20-15(17-10)11-5-4-6-12(16)9-11/h4-9H,1-3H3
InChIKeyUNOATSBOMMTHBJ-UHFFFAOYSA-N
XLogP3.05
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.05
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-fluorophenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one
CID 1491612
2-[4-methyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]acetic acid
CID 82128606
5-(aminomethyl)-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylic acid
CID 115059786
5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 69195393
2-(3-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-phenyl-1,3-benzoxazole-7-carboxylic acid
CID 158103086
1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 82299125
(E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]prop-2-en-1-one
CID 75176342
(E)-3-(dimethylamino)-1-(2-phenyl-1,3-oxazol-5-yl)prop-2-en-1-one
CID 59698699
2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 107953395
3-(dimethylamino)-1-(3-methylphenyl)prop-2-en-1-one
CID 7017237
methyl 5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 122476852
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110627062

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[2-(3-fluorophenyl)-4-methyl-1,3-oxazol-5-yl]prop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1-[2-(3-fluorophenyl)-4-methyl-1,3-oxazol-5-yl]prop-2-en-1-one (CID 171147775) is 3-(dimethylamino)-1-[2-(3-fluorophenyl)-4-methyl-1,3-oxazol-5-yl]prop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-[2-(3-fluorophenyl)-4-methyl-1,3-oxazol-5-yl]prop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1-[2-(3-fluorophenyl)-4-methyl-1,3-oxazol-5-yl]prop-2-en-1-one is Cc1nc(-c2cccc(F)c2)oc1C(=O)C=CN(C)C.
What is the InChIKey of 3-(dimethylamino)-1-[2-(3-fluorophenyl)-4-methyl-1,3-oxazol-5-yl]prop-2-en-1-one?
The InChIKey is UNOATSBOMMTHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10-14(13(19)7-8-18(2)3)20-15(17-10)11-5-4-6-12(16)9-11/h4-9H,1-3H3.
What are the key properties of 3-(dimethylamino)-1-[2-(3-fluorophenyl)-4-methyl-1,3-oxazol-5-yl]prop-2-en-1-one?
3-(dimethylamino)-1-[2-(3-fluorophenyl)-4-methyl-1,3-oxazol-5-yl]prop-2-en-1-one has a molecular weight of 274.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[2-(3-fluorophenyl)-4-methyl-1,3-oxazol-5-yl]prop-2-en-1-one is sourced from PubChem (CID 171147775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).