N-[3-[4-(1,2-oxazol-3-ylmethylamino)piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide

C23H23F3N4O2 — CID 42482821

IUPACN-[3-[4-(1,2-oxazol-3-ylmethylamino)piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(N2CCC(NCc3ccon3)CC2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H23F3N4O2/c24-23(25,26)17-4-1-3-16(13-17)22(31)28-19-5-2-6-21(14-19)30-10-7-18(8-11-30)27-15-20-9-12-32-29-20/h1-6,9,12-14,18,27H,7-8,10-11,15H2,(H,28,31)
InChIKeyFWSMMEADHKSVHQ-UHFFFAOYSA-N
MW444.46 g/mol
LogP4.70
Rot. Bonds6

About N-[3-[4-(1,2-oxazol-3-ylmethylamino)piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide

N-[3-[4-(1,2-oxazol-3-ylmethylamino)piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 42482821) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is N-[3-[4-(1,2-oxazol-3-ylmethylamino)piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[4-(1,2-oxazol-3-ylmethylamino)piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID42482821
Molecular FormulaC23H23F3N4O2
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC NameN-[3-[4-(1,2-oxazol-3-ylmethylamino)piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(N2CCC(NCc3ccon3)CC2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H23F3N4O2/c24-23(25,26)17-4-1-3-16(13-17)22(31)28-19-5-2-6-21(14-19)30-10-7-18(8-11-30)27-15-20-9-12-32-29-20/h1-6,9,12-14,18,27H,7-8,10-11,15H2,(H,28,31)
InChIKeyFWSMMEADHKSVHQ-UHFFFAOYSA-N
XLogP4.70
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[4-(2-fluorophenyl)phenyl]carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide
CID 68601090
N-[4-[(4-phenylphenyl)carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide
CID 68606925
N-(1,2-oxazol-3-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24790879
N-[(7S,10S,13S)-10-[(4-fluorophenyl)methyl]-7-formyl-3-methyl-4,9,12-trioxo-3,8,11-triazabicyclo[12.3.1]octadeca-1(18),14,16-trien-13-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 145967471
N-[4-[[3-(2-fluorophenyl)phenyl]carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide
CID 68604357
3-(trans-2-((4,4-difluorocyclohexyl)-amino)cyclopropyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide hydrochloride
CID 118303981
N-[5-[[3-[3-(ethylamino)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 168899512
5-methyl-N-[2-methyl-5-[[3-morpholin-4-yl-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxamide
CID 168899532
5-methyl-N-[2-methyl-5-[[3-[(1-methylpyrrolidin-3-yl)amino]-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxamide
CID 168899534
N-[5-[[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 168899536
5-methyl-N-[2-methyl-5-[[3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxamide
CID 168899549
Csf1R-IN-20
CID 168899551

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1,2-oxazol-3-ylmethylamino)piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[4-(1,2-oxazol-3-ylmethylamino)piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 42482821) is N-[3-[4-(1,2-oxazol-3-ylmethylamino)piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[4-(1,2-oxazol-3-ylmethylamino)piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[4-(1,2-oxazol-3-ylmethylamino)piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(N2CCC(NCc3ccon3)CC2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[4-(1,2-oxazol-3-ylmethylamino)piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is FWSMMEADHKSVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2/c24-23(25,26)17-4-1-3-16(13-17)22(31)28-19-5-2-6-21(14-19)30-10-7-18(8-11-30)27-15-20-9-12-32-29-20/h1-6,9,12-14,18,27H,7-8,10-11,15H2,(H,28,31).
What are the key properties of N-[3-[4-(1,2-oxazol-3-ylmethylamino)piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide?
N-[3-[4-(1,2-oxazol-3-ylmethylamino)piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 444.46 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1,2-oxazol-3-ylmethylamino)piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 42482821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).