N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

C19H18F3N5O3 — CID 129032602

IUPACN-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cocn2)CC1)c1cocn1
InChIInChI=1S/C19H18F3N5O3/c20-19(21,22)13-1-2-17(15(7-13)25-18(28)16-10-30-12-24-16)27-5-3-26(4-6-27)8-14-9-29-11-23-14/h1-2,7,9-12H,3-6,8H2,(H,25,28)
InChIKeyXIAJSQKRTQRIQI-UHFFFAOYSA-N
MW421.38 g/mol
LogP3.26
Rot. Bonds5

About N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 129032602) has the molecular formula C19H18F3N5O3 and a molecular weight of 421.38 g/mol. Its IUPAC name is N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID129032602
Molecular FormulaC19H18F3N5O3
Molecular Weight421.38 g/mol
Exact Mass421.14
IUPAC NameN-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cocn2)CC1)c1cocn1
InChIInChI=1S/C19H18F3N5O3/c20-19(21,22)13-1-2-17(15(7-13)25-18(28)16-10-30-12-24-16)27-5-3-26(4-6-27)8-14-9-29-11-23-14/h1-2,7,9-12H,3-6,8H2,(H,25,28)
InChIKeyXIAJSQKRTQRIQI-UHFFFAOYSA-N
XLogP3.26
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)benzamide
CID 129032599
N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)-picolinamide
CID 129032618
N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)pyrazine-2-carboxamide
CID 129032651
N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)oxazole-2-carboxamide
CID 129032666
2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 46043247
N-(4-Fluorophenyl)-2-{[4-(4-methylphenyl)piperazin-1-YL]methyl}-1,3-oxazole-4-carboxamide
CID 46043340
N-Ethyl-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-YL}methyl)-1,3-oxazole-4-carboxamide
CID 46055699
2-{[4-(2,3-Dimethylphenyl)piperazin-1-YL]methyl}-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 46056017
2-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]-1,3-oxazole-4-carboxamide
CID 90676910
N-Cyclopropyl-2-{[4-(4-methylphenyl)piperazin-1-YL]methyl}-13-oxazole-4-carboxamide
CID 46043342
2-{[4-(3,4-Dimethylphenyl)piperazin-1-YL]methyl}-N-phenyl-1,3-oxazole-4-carboxamide
CID 46043241
2-{[4-(3,4-Dimethylphenyl)piperazin-1-YL]methyl}-N-ethyl-1,3-oxazole-4-carboxamide
CID 46043249

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 129032602) is N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cocn2)CC1)c1cocn1.
What is the InChIKey of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is XIAJSQKRTQRIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O3/c20-19(21,22)13-1-2-17(15(7-13)25-18(28)16-10-30-12-24-16)27-5-3-26(4-6-27)8-14-9-29-11-23-14/h1-2,7,9-12H,3-6,8H2,(H,25,28).
What are the key properties of N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 421.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 129032602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).