N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide

C16H14F3N3O3 — CID 42769078

IUPACN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide
SMILESC=CCN(CC(=O)Nc1ccon1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3O3/c1-2-8-22(10-14(23)20-13-7-9-25-21-13)15(24)11-3-5-12(6-4-11)16(17,18)19/h2-7,9H,1,8,10H2,(H,20,21,23)
InChIKeySOHLWXKFUROGOJ-UHFFFAOYSA-N
MW353.30 g/mol
LogP2.96
Rot. Bonds6

About N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide

N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide (PubChem CID 42769078) has the molecular formula C16H14F3N3O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide
PubChem CID42769078
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30 g/mol
Exact Mass353.10
IUPAC NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide
SMILESC=CCN(CC(=O)Nc1ccon1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3O3/c1-2-8-22(10-14(23)20-13-7-9-25-21-13)15(24)11-3-5-12(6-4-11)16(17,18)19/h2-7,9H,1,8,10H2,(H,20,21,23)
InChIKeySOHLWXKFUROGOJ-UHFFFAOYSA-N
XLogP2.96
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide (CID 42769078) is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide is C=CCN(CC(=O)Nc1ccon1)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide?
The InChIKey is SOHLWXKFUROGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3/c1-2-8-22(10-14(23)20-13-7-9-25-21-13)15(24)11-3-5-12(6-4-11)16(17,18)19/h2-7,9H,1,8,10H2,(H,20,21,23).
What are the key properties of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide?
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide has a molecular weight of 353.30 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 42769078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).