3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-N-cyclopropyl-4-fluorobenzamide

C16H16F5N3O2 — CID 90373219

IUPAC3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-N-cyclopropyl-4-fluorobenzamide
SMILESNC1=N[C@](CF)(c2cc(C(=O)NC3CC3)ccc2F)C[C@@H](C(F)(F)F)O1
InChIInChI=1S/C16H16F5N3O2/c17-7-15(6-12(16(19,20)21)26-14(22)24-15)10-5-8(1-4-11(10)18)13(25)23-9-2-3-9/h1,4-5,9,12H,2-3,6-7H2,(H2,22,24)(H,23,25)/t12-,15+/m0/s1
InChIKeyJWRXCQVVSVKPKE-SWLSCSKDSA-N
MW377.31 g/mol
LogP2.55
Rot. Bonds4

About 3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-N-cyclopropyl-4-fluorobenzamide

3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-N-cyclopropyl-4-fluorobenzamide (PubChem CID 90373219) has the molecular formula C16H16F5N3O2 and a molecular weight of 377.31 g/mol. Its IUPAC name is 3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-N-cyclopropyl-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-N-cyclopropyl-4-fluorobenzamide
PubChem CID90373219
Molecular FormulaC16H16F5N3O2
Molecular Weight377.31 g/mol
Exact Mass377.12
IUPAC Name3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-N-cyclopropyl-4-fluorobenzamide
SMILESNC1=N[C@](CF)(c2cc(C(=O)NC3CC3)ccc2F)C[C@@H](C(F)(F)F)O1
InChIInChI=1S/C16H16F5N3O2/c17-7-15(6-12(16(19,20)21)26-14(22)24-15)10-5-8(1-4-11(10)18)13(25)23-9-2-3-9/h1,4-5,9,12H,2-3,6-7H2,(H2,22,24)(H,23,25)/t12-,15+/m0/s1
InChIKeyJWRXCQVVSVKPKE-SWLSCSKDSA-N
XLogP2.55
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-N-cyclopropyl-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-N-cyclopropyl-4-fluorobenzamide?
The IUPAC name of 3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-N-cyclopropyl-4-fluorobenzamide (CID 90373219) is 3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-N-cyclopropyl-4-fluorobenzamide.
What is the SMILES notation for 3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-N-cyclopropyl-4-fluorobenzamide?
The canonical SMILES for 3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-N-cyclopropyl-4-fluorobenzamide is NC1=N[C@](CF)(c2cc(C(=O)NC3CC3)ccc2F)C[C@@H](C(F)(F)F)O1.
What is the InChIKey of 3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-N-cyclopropyl-4-fluorobenzamide?
The InChIKey is JWRXCQVVSVKPKE-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H16F5N3O2/c17-7-15(6-12(16(19,20)21)26-14(22)24-15)10-5-8(1-4-11(10)18)13(25)23-9-2-3-9/h1,4-5,9,12H,2-3,6-7H2,(H2,22,24)(H,23,25)/t12-,15+/m0/s1.
What are the key properties of 3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-N-cyclopropyl-4-fluorobenzamide?
3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-N-cyclopropyl-4-fluorobenzamide has a molecular weight of 377.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-N-cyclopropyl-4-fluorobenzamide is sourced from PubChem (CID 90373219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).