Skip to content

N-[(7S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-7-yl]-3-(trifluoromethoxy)benzamide

C23H19F4N3O3 — CID 177050723

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(7S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-7-yl]-3-(trifluoromethoxy)benzamide
SMILESO=C(N[C@H]1CCCc2nc(-c3cc(C4CC4)ncc3F)oc21)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C23H19F4N3O3/c24-16-11-28-19(12-7-8-12)10-15(16)22-30-18-6-2-5-17(20(18)32-22)29-21(31)13-3-1-4-14(9-13)33-23(25,26)27/h1,3-4,9-12,17H,2,5-8H2,(H,29,31)/t17-/m0/s1
InChIKeyMILWFXMCKZHTSG-KRWDZBQOSA-N
MW461.42 g/mol
LogP5.46
Rot. Bonds5

About N-[(7S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-7-yl]-3-(trifluoromethoxy)benzamide

N-[(7S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-7-yl]-3-(trifluoromethoxy)benzamide (PubChem CID 177050723) has the molecular formula C23H19F4N3O3 and a molecular weight of 461.42 g/mol. Its IUPAC name is N-[(7S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-7-yl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(7S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-7-yl]-3-(trifluoromethoxy)benzamide
PubChem CID177050723
Molecular FormulaC23H19F4N3O3
Molecular Weight461.42 g/mol
Exact Mass461.14
IUPAC NameN-[(7S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-7-yl]-3-(trifluoromethoxy)benzamide
SMILESO=C(N[C@H]1CCCc2nc(-c3cc(C4CC4)ncc3F)oc21)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C23H19F4N3O3/c24-16-11-28-19(12-7-8-12)10-15(16)22-30-18-6-2-5-17(20(18)32-22)29-21(31)13-3-1-4-14(9-13)33-23(25,26)27/h1,3-4,9-12,17H,2,5-8H2,(H,29,31)/t17-/m0/s1
InChIKeyMILWFXMCKZHTSG-KRWDZBQOSA-N
XLogP5.46
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.42
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(7S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-7-yl]-3-(trifluoromethoxy)benzamide 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 N-[(7S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-7-yl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(7S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-7-yl]-3-(trifluoromethoxy)benzamide (CID 177050723) is N-[(7S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-7-yl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(7S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-7-yl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(7S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-7-yl]-3-(trifluoromethoxy)benzamide is O=C(N[C@H]1CCCc2nc(-c3cc(C4CC4)ncc3F)oc21)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[(7S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-7-yl]-3-(trifluoromethoxy)benzamide?
The InChIKey is MILWFXMCKZHTSG-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H19F4N3O3/c24-16-11-28-19(12-7-8-12)10-15(16)22-30-18-6-2-5-17(20(18)32-22)29-21(31)13-3-1-4-14(9-13)33-23(25,26)27/h1,3-4,9-12,17H,2,5-8H2,(H,29,31)/t17-/m0/s1.
What are the key properties of N-[(7S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-7-yl]-3-(trifluoromethoxy)benzamide?
N-[(7S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-7-yl]-3-(trifluoromethoxy)benzamide has a molecular weight of 461.42 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S)-2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-7-yl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 177050723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.