5-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-N-propan-2-yl-1,2-oxazole-3-carboxamide

C21H31N5O3 — CID 46948500

IUPAC5-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)NC(=O)c1cc(C2CCCCN2C(=O)c2cc(C(C)(C)C)nn2C)on1
InChIInChI=1S/C21H31N5O3/c1-13(2)22-19(27)14-11-17(29-24-14)15-9-7-8-10-26(15)20(28)16-12-18(21(3,4)5)23-25(16)6/h11-13,15H,7-10H2,1-6H3,(H,22,27)
InChIKeyHAHOIUKMRMRQAC-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.21
Rot. Bonds4

About 5-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-N-propan-2-yl-1,2-oxazole-3-carboxamide

5-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-N-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 46948500) has the molecular formula C21H31N5O3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 5-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-N-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID46948500
Molecular FormulaC21H31N5O3
Molecular Weight401.51 g/mol
Exact Mass401.24
IUPAC Name5-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)NC(=O)c1cc(C2CCCCN2C(=O)c2cc(C(C)(C)C)nn2C)on1
InChIInChI=1S/C21H31N5O3/c1-13(2)22-19(27)14-11-17(29-24-14)15-9-7-8-10-26(15)20(28)16-12-18(21(3,4)5)23-25(16)6/h11-13,15H,7-10H2,1-6H3,(H,22,27)
InChIKeyHAHOIUKMRMRQAC-UHFFFAOYSA-N
XLogP3.21
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-N-propan-2-yl-1,2-oxazole-3-carboxamide (CID 46948500) is 5-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-N-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-N-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)NC(=O)c1cc(C2CCCCN2C(=O)c2cc(C(C)(C)C)nn2C)on1.
What is the InChIKey of 5-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is HAHOIUKMRMRQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3/c1-13(2)22-19(27)14-11-17(29-24-14)15-9-7-8-10-26(15)20(28)16-12-18(21(3,4)5)23-25(16)6/h11-13,15H,7-10H2,1-6H3,(H,22,27).
What are the key properties of 5-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-N-propan-2-yl-1,2-oxazole-3-carboxamide?
5-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-N-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-N-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46948500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).