N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide

C17H17N5O3 — CID 75504261

IUPACN-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1(c2ncon2)CCOCC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H17N5O3/c23-15(14-10-13(20-21-14)12-4-2-1-3-5-12)19-17(6-8-24-9-7-17)16-18-11-25-22-16/h1-5,10-11H,6-9H2,(H,19,23)(H,20,21)
InChIKeyFCIBZEMTBGWMKK-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.90
Rot. Bonds4

About N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 75504261) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID75504261
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1(c2ncon2)CCOCC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H17N5O3/c23-15(14-10-13(20-21-14)12-4-2-1-3-5-12)19-17(6-8-24-9-7-17)16-18-11-25-22-16/h1-5,10-11H,6-9H2,(H,19,23)(H,20,21)
InChIKeyFCIBZEMTBGWMKK-UHFFFAOYSA-N
XLogP1.90
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 75504261) is N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide is O=C(NC1(c2ncon2)CCOCC1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is FCIBZEMTBGWMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-15(14-10-13(20-21-14)12-4-2-1-3-5-12)19-17(6-8-24-9-7-17)16-18-11-25-22-16/h1-5,10-11H,6-9H2,(H,19,23)(H,20,21).
What are the key properties of N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 75504261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).