3-(difluoromethyl)-N-[(1S)-1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide

C17H18F2N6O3 — CID 169262812

IUPAC3-(difluoromethyl)-N-[(1S)-1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide
SMILESCCOc1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)F)nn3C)n2)ccn1
InChIInChI=1S/C17H18F2N6O3/c1-4-27-13-7-10(5-6-20-13)15-22-17(28-24-15)9(2)21-16(26)12-8-11(14(18)19)23-25(12)3/h5-9,14H,4H2,1-3H3,(H,21,26)/t9-/m0/s1
InChIKeyQVPWLMQMEGBQJK-VIFPVBQESA-N
MW392.37 g/mol
LogP2.69
Rot. Bonds7

About 3-(difluoromethyl)-N-[(1S)-1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide

3-(difluoromethyl)-N-[(1S)-1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 169262812) has the molecular formula C17H18F2N6O3 and a molecular weight of 392.37 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[(1S)-1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[(1S)-1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide
PubChem CID169262812
Molecular FormulaC17H18F2N6O3
Molecular Weight392.37 g/mol
Exact Mass392.14
IUPAC Name3-(difluoromethyl)-N-[(1S)-1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide
SMILESCCOc1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)F)nn3C)n2)ccn1
InChIInChI=1S/C17H18F2N6O3/c1-4-27-13-7-10(5-6-20-13)15-22-17(28-24-15)9(2)21-16(26)12-8-11(14(18)19)23-25(12)3/h5-9,14H,4H2,1-3H3,(H,21,26)/t9-/m0/s1
InChIKeyQVPWLMQMEGBQJK-VIFPVBQESA-N
XLogP2.69
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[(1S)-1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N-[(1S)-1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide (CID 169262812) is 3-(difluoromethyl)-N-[(1S)-1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[(1S)-1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N-[(1S)-1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide is CCOc1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)F)nn3C)n2)ccn1.
What is the InChIKey of 3-(difluoromethyl)-N-[(1S)-1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is QVPWLMQMEGBQJK-VIFPVBQESA-N. The full InChI is InChI=1S/C17H18F2N6O3/c1-4-27-13-7-10(5-6-20-13)15-22-17(28-24-15)9(2)21-16(26)12-8-11(14(18)19)23-25(12)3/h5-9,14H,4H2,1-3H3,(H,21,26)/t9-/m0/s1.
What are the key properties of 3-(difluoromethyl)-N-[(1S)-1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide?
3-(difluoromethyl)-N-[(1S)-1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 392.37 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[(1S)-1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 169262812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).