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

C17H23N5O3 — CID 86792860

IUPAC5-cyclohexyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC1(c2ncon2)CCOCC1)c1cc(C2CCCCC2)[nH]n1
InChIInChI=1S/C17H23N5O3/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/h10-12H,1-9H2,(H,19,23)(H,20,21)
InChIKeyDFZPPROXSYRBSM-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.28
Rot. Bonds4

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

5-cyclohexyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide (PubChem CID 86792860) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-cyclohexyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclohexyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide
PubChem CID86792860
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name5-cyclohexyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC1(c2ncon2)CCOCC1)c1cc(C2CCCCC2)[nH]n1
InChIInChI=1S/C17H23N5O3/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/h10-12H,1-9H2,(H,19,23)(H,20,21)
InChIKeyDFZPPROXSYRBSM-UHFFFAOYSA-N
XLogP2.28
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclohexyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide (CID 86792860) is 5-cyclohexyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclohexyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclohexyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide is O=C(NC1(c2ncon2)CCOCC1)c1cc(C2CCCCC2)[nH]n1.
What is the InChIKey of 5-cyclohexyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is DFZPPROXSYRBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/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/h10-12H,1-9H2,(H,19,23)(H,20,21).
What are the key properties of 5-cyclohexyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide?
5-cyclohexyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 86792860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).