4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]naphthalene-1-carboxamide

C29H24F9N3O3 — CID 25154399

IUPAC4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]naphthalene-1-carboxamide
SMILESCC(C)NC(=O)C(C)NC(=O)c1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)c2ccccc12
InChIInChI=1S/C29H24F9N3O3/c1-14(2)39-24(42)15(3)40-25(43)22-9-8-21(19-6-4-5-7-20(19)22)23-13-26(44-41-23,29(36,37)38)16-10-17(27(30,31)32)12-18(11-16)28(33,34)35/h4-12,14-15H,13H2,1-3H3,(H,39,42)(H,40,43)
InChIKeyITQHZKVEGIYWQK-UHFFFAOYSA-N
MW633.51 g/mol
LogP7.10
Rot. Bonds6

About 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]naphthalene-1-carboxamide

4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]naphthalene-1-carboxamide (PubChem CID 25154399) has the molecular formula C29H24F9N3O3 and a molecular weight of 633.51 g/mol. Its IUPAC name is 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]naphthalene-1-carboxamide
PubChem CID25154399
Molecular FormulaC29H24F9N3O3
Molecular Weight633.51 g/mol
Exact Mass633.17
IUPAC Name4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]naphthalene-1-carboxamide
SMILESCC(C)NC(=O)C(C)NC(=O)c1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)c2ccccc12
InChIInChI=1S/C29H24F9N3O3/c1-14(2)39-24(42)15(3)40-25(43)22-9-8-21(19-6-4-5-7-20(19)22)23-13-26(44-41-23,29(36,37)38)16-10-17(27(30,31)32)12-18(11-16)28(33,34)35/h4-12,14-15H,13H2,1-3H3,(H,39,42)(H,40,43)
InChIKeyITQHZKVEGIYWQK-UHFFFAOYSA-N
XLogP7.10
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.51
LogP ≤ 57.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]naphthalene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]naphthalene-1-carboxamide?
The IUPAC name of 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]naphthalene-1-carboxamide (CID 25154399) is 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]naphthalene-1-carboxamide is CC(C)NC(=O)C(C)NC(=O)c1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)c2ccccc12.
What is the InChIKey of 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]naphthalene-1-carboxamide?
The InChIKey is ITQHZKVEGIYWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F9N3O3/c1-14(2)39-24(42)15(3)40-25(43)22-9-8-21(19-6-4-5-7-20(19)22)23-13-26(44-41-23,29(36,37)38)16-10-17(27(30,31)32)12-18(11-16)28(33,34)35/h4-12,14-15H,13H2,1-3H3,(H,39,42)(H,40,43).
What are the key properties of 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]naphthalene-1-carboxamide?
4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]naphthalene-1-carboxamide has a molecular weight of 633.51 g/mol, XLogP of 7.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 25154399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).