3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide

C17H21N5O3 — CID 128989245

IUPAC3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESCN1C(=O)CC[C@@H](NC(=O)c2cc(C3CC3)no2)[C@@H]1c1ccnn1C
InChIInChI=1S/C17H21N5O3/c1-21-15(23)6-5-11(16(21)13-7-8-18-22(13)2)19-17(24)14-9-12(20-25-14)10-3-4-10/h7-11,16H,3-6H2,1-2H3,(H,19,24)/t11-,16-/m1/s1
InChIKeyFJVWREVOEHRTQC-BDJLRTHQSA-N
MW343.39 g/mol
LogP1.38
Rot. Bonds4

About 3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide

3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 128989245) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID128989245
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESCN1C(=O)CC[C@@H](NC(=O)c2cc(C3CC3)no2)[C@@H]1c1ccnn1C
InChIInChI=1S/C17H21N5O3/c1-21-15(23)6-5-11(16(21)13-7-8-18-22(13)2)19-17(24)14-9-12(20-25-14)10-3-4-10/h7-11,16H,3-6H2,1-2H3,(H,19,24)/t11-,16-/m1/s1
InChIKeyFJVWREVOEHRTQC-BDJLRTHQSA-N
XLogP1.38
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide (CID 128989245) is 3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide is CN1C(=O)CC[C@@H](NC(=O)c2cc(C3CC3)no2)[C@@H]1c1ccnn1C.
What is the InChIKey of 3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is FJVWREVOEHRTQC-BDJLRTHQSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-21-15(23)6-5-11(16(21)13-7-8-18-22(13)2)19-17(24)14-9-12(20-25-14)10-3-4-10/h7-11,16H,3-6H2,1-2H3,(H,19,24)/t11-,16-/m1/s1.
What are the key properties of 3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide?
3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 128989245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).