5-cyclopropyl-N-[1-(5-hydroxypiperidine-3-carbonyl)-2-methylpiperidin-4-yl]-1,2-oxazole-3-carboxamide

C19H28N4O4 — CID 145040433

IUPAC5-cyclopropyl-N-[1-(5-hydroxypiperidine-3-carbonyl)-2-methylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCC1CC(NC(=O)c2cc(C3CC3)on2)CCN1C(=O)C1CNCC(O)C1
InChIInChI=1S/C19H28N4O4/c1-11-6-14(21-18(25)16-8-17(27-22-16)12-2-3-12)4-5-23(11)19(26)13-7-15(24)10-20-9-13/h8,11-15,20,24H,2-7,9-10H2,1H3,(H,21,25)
InChIKeyZMJLOXHREPHHJT-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.63
Rot. Bonds4

About 5-cyclopropyl-N-[1-(5-hydroxypiperidine-3-carbonyl)-2-methylpiperidin-4-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[1-(5-hydroxypiperidine-3-carbonyl)-2-methylpiperidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 145040433) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-(5-hydroxypiperidine-3-carbonyl)-2-methylpiperidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-(5-hydroxypiperidine-3-carbonyl)-2-methylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID145040433
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name5-cyclopropyl-N-[1-(5-hydroxypiperidine-3-carbonyl)-2-methylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCC1CC(NC(=O)c2cc(C3CC3)on2)CCN1C(=O)C1CNCC(O)C1
InChIInChI=1S/C19H28N4O4/c1-11-6-14(21-18(25)16-8-17(27-22-16)12-2-3-12)4-5-23(11)19(26)13-7-15(24)10-20-9-13/h8,11-15,20,24H,2-7,9-10H2,1H3,(H,21,25)
InChIKeyZMJLOXHREPHHJT-UHFFFAOYSA-N
XLogP0.63
TPSA107.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-(5-hydroxypiperidine-3-carbonyl)-2-methylpiperidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-(5-hydroxypiperidine-3-carbonyl)-2-methylpiperidin-4-yl]-1,2-oxazole-3-carboxamide (CID 145040433) is 5-cyclopropyl-N-[1-(5-hydroxypiperidine-3-carbonyl)-2-methylpiperidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-(5-hydroxypiperidine-3-carbonyl)-2-methylpiperidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-(5-hydroxypiperidine-3-carbonyl)-2-methylpiperidin-4-yl]-1,2-oxazole-3-carboxamide is CC1CC(NC(=O)c2cc(C3CC3)on2)CCN1C(=O)C1CNCC(O)C1.
What is the InChIKey of 5-cyclopropyl-N-[1-(5-hydroxypiperidine-3-carbonyl)-2-methylpiperidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZMJLOXHREPHHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-11-6-14(21-18(25)16-8-17(27-22-16)12-2-3-12)4-5-23(11)19(26)13-7-15(24)10-20-9-13/h8,11-15,20,24H,2-7,9-10H2,1H3,(H,21,25).
What are the key properties of 5-cyclopropyl-N-[1-(5-hydroxypiperidine-3-carbonyl)-2-methylpiperidin-4-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[1-(5-hydroxypiperidine-3-carbonyl)-2-methylpiperidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-(5-hydroxypiperidine-3-carbonyl)-2-methylpiperidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 145040433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).