N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide

C19H19ClF3N5O2 — CID 51852314

IUPACN-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1nn([C@H](C)CCNC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)no2)c(C)c1Cl
InChIInChI=1S/C19H19ClF3N5O2/c1-10(28-12(3)15(20)11(2)26-28)8-9-24-17(29)18-25-16(27-30-18)13-4-6-14(7-5-13)19(21,22)23/h4-7,10H,8-9H2,1-3H3,(H,24,29)/t10-/m1/s1
InChIKeySOWKNLSVPOBMSQ-SNVBAGLBSA-N
MW441.84 g/mol
LogP4.60
Rot. Bonds6

About N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide

N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 51852314) has the molecular formula C19H19ClF3N5O2 and a molecular weight of 441.84 g/mol. Its IUPAC name is N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID51852314
Molecular FormulaC19H19ClF3N5O2
Molecular Weight441.84 g/mol
Exact Mass441.12
IUPAC NameN-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1nn([C@H](C)CCNC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)no2)c(C)c1Cl
InChIInChI=1S/C19H19ClF3N5O2/c1-10(28-12(3)15(20)11(2)26-28)8-9-24-17(29)18-25-16(27-30-18)13-4-6-14(7-5-13)19(21,22)23/h4-7,10H,8-9H2,1-3H3,(H,24,29)/t10-/m1/s1
InChIKeySOWKNLSVPOBMSQ-SNVBAGLBSA-N
XLogP4.60
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.84
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide (CID 51852314) is N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide is Cc1nn([C@H](C)CCNC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)no2)c(C)c1Cl.
What is the InChIKey of N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is SOWKNLSVPOBMSQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H19ClF3N5O2/c1-10(28-12(3)15(20)11(2)26-28)8-9-24-17(29)18-25-16(27-30-18)13-4-6-14(7-5-13)19(21,22)23/h4-7,10H,8-9H2,1-3H3,(H,24,29)/t10-/m1/s1.
What are the key properties of N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 441.84 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 51852314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).