5-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,3-oxazole-4-carboxamide

C17H21N5O3 — CID 128528479

IUPAC5-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,3-oxazole-4-carboxamide
SMILESCN1C(=O)CC[C@@H](NC(=O)c2ncoc2C2CC2)[C@@H]1c1ccnn1C
InChIInChI=1S/C17H21N5O3/c1-21-13(23)6-5-11(15(21)12-7-8-19-22(12)2)20-17(24)14-16(10-3-4-10)25-9-18-14/h7-11,15H,3-6H2,1-2H3,(H,20,24)/t11-,15-/m1/s1
InChIKeyRUGBYBNJPBRDDB-IAQYHMDHSA-N
MW343.39 g/mol
LogP1.38
Rot. Bonds4

About 5-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,3-oxazole-4-carboxamide

5-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,3-oxazole-4-carboxamide (PubChem CID 128528479) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,3-oxazole-4-carboxamide
PubChem CID128528479
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name5-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,3-oxazole-4-carboxamide
SMILESCN1C(=O)CC[C@@H](NC(=O)c2ncoc2C2CC2)[C@@H]1c1ccnn1C
InChIInChI=1S/C17H21N5O3/c1-21-13(23)6-5-11(15(21)12-7-8-19-22(12)2)20-17(24)14-16(10-3-4-10)25-9-18-14/h7-11,15H,3-6H2,1-2H3,(H,20,24)/t11-,15-/m1/s1
InChIKeyRUGBYBNJPBRDDB-IAQYHMDHSA-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 5-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,3-oxazole-4-carboxamide (CID 128528479) is 5-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,3-oxazole-4-carboxamide is CN1C(=O)CC[C@@H](NC(=O)c2ncoc2C2CC2)[C@@H]1c1ccnn1C.
What is the InChIKey of 5-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is RUGBYBNJPBRDDB-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-21-13(23)6-5-11(15(21)12-7-8-19-22(12)2)20-17(24)14-16(10-3-4-10)25-9-18-14/h7-11,15H,3-6H2,1-2H3,(H,20,24)/t11-,15-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,3-oxazole-4-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 5-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 128528479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).