N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]prop-2-enamide

C18H14F3N3O2S — CID 155516600

IUPACN-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]prop-2-enamide
SMILESC=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C18H14F3N3O2S/c1-3-16(25)24(9-14-8-11(2)23-26-14)17-22-15(10-27-17)12-4-6-13(7-5-12)18(19,20)21/h3-8,10H,1,9H2,2H3
InChIKeyKVBJJIJUUDBZEJ-UHFFFAOYSA-N
MW393.39 g/mol
LogP4.84
Rot. Bonds5

About N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]prop-2-enamide

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 155516600) has the molecular formula C18H14F3N3O2S and a molecular weight of 393.39 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID155516600
Molecular FormulaC18H14F3N3O2S
Molecular Weight393.39 g/mol
Exact Mass393.08
IUPAC NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]prop-2-enamide
SMILESC=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C18H14F3N3O2S/c1-3-16(25)24(9-14-8-11(2)23-26-14)17-22-15(10-27-17)12-4-6-13(7-5-12)18(19,20)21/h3-8,10H,1,9H2,2H3
InChIKeyKVBJJIJUUDBZEJ-UHFFFAOYSA-N
XLogP4.84
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]prop-2-enamide (CID 155516600) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]prop-2-enamide is C=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccc(C(F)(F)F)cc2)cs1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is KVBJJIJUUDBZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2S/c1-3-16(25)24(9-14-8-11(2)23-26-14)17-22-15(10-27-17)12-4-6-13(7-5-12)18(19,20)21/h3-8,10H,1,9H2,2H3.
What are the key properties of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]prop-2-enamide?
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 393.39 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 155516600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).