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

C15H21N5O3 — CID 129473440

IUPACN-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)c1noc([C@@H](NC(=O)c2ccn[nH]2)C2CCOCC2)n1
InChIInChI=1S/C15H21N5O3/c1-9(2)13-18-15(23-20-13)12(10-4-7-22-8-5-10)17-14(21)11-3-6-16-19-11/h3,6,9-10,12H,4-5,7-8H2,1-2H3,(H,16,19)(H,17,21)/t12-/m0/s1
InChIKeyXEHSJGHLCYCEDE-LBPRGKRZSA-N
MW319.37 g/mol
LogP1.81
Rot. Bonds5

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

N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 129473440) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID129473440
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC NameN-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)c1noc([C@@H](NC(=O)c2ccn[nH]2)C2CCOCC2)n1
InChIInChI=1S/C15H21N5O3/c1-9(2)13-18-15(23-20-13)12(10-4-7-22-8-5-10)17-14(21)11-3-6-16-19-11/h3,6,9-10,12H,4-5,7-8H2,1-2H3,(H,16,19)(H,17,21)/t12-/m0/s1
InChIKeyXEHSJGHLCYCEDE-LBPRGKRZSA-N
XLogP1.81
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide (CID 129473440) is N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide is CC(C)c1noc([C@@H](NC(=O)c2ccn[nH]2)C2CCOCC2)n1.
What is the InChIKey of N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is XEHSJGHLCYCEDE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-9(2)13-18-15(23-20-13)12(10-4-7-22-8-5-10)17-14(21)11-3-6-16-19-11/h3,6,9-10,12H,4-5,7-8H2,1-2H3,(H,16,19)(H,17,21)/t12-/m0/s1.
What are the key properties of N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide?
N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 129473440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).