N-[4-(4-methylpiperidin-1-yl)cyclohexyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

C19H31N3O2 — CID 119043051

IUPACN-[4-(4-methylpiperidin-1-yl)cyclohexyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC1CCN(C2CCC(NC(=O)c3cc(C(C)C)on3)CC2)CC1
InChIInChI=1S/C19H31N3O2/c1-13(2)18-12-17(21-24-18)19(23)20-15-4-6-16(7-5-15)22-10-8-14(3)9-11-22/h12-16H,4-11H2,1-3H3,(H,20,23)
InChIKeyXKUZOGCSSJBZQN-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.57
Rot. Bonds4

About N-[4-(4-methylpiperidin-1-yl)cyclohexyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-[4-(4-methylpiperidin-1-yl)cyclohexyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 119043051) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)cyclohexyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)cyclohexyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID119043051
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[4-(4-methylpiperidin-1-yl)cyclohexyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC1CCN(C2CCC(NC(=O)c3cc(C(C)C)on3)CC2)CC1
InChIInChI=1S/C19H31N3O2/c1-13(2)18-12-17(21-24-18)19(23)20-15-4-6-16(7-5-15)22-10-8-14(3)9-11-22/h12-16H,4-11H2,1-3H3,(H,20,23)
InChIKeyXKUZOGCSSJBZQN-UHFFFAOYSA-N
XLogP3.57
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)cyclohexyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)cyclohexyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 119043051) is N-[4-(4-methylpiperidin-1-yl)cyclohexyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)cyclohexyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)cyclohexyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC1CCN(C2CCC(NC(=O)c3cc(C(C)C)on3)CC2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)cyclohexyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is XKUZOGCSSJBZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-13(2)18-12-17(21-24-18)19(23)20-15-4-6-16(7-5-15)22-10-8-14(3)9-11-22/h12-16H,4-11H2,1-3H3,(H,20,23).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)cyclohexyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[4-(4-methylpiperidin-1-yl)cyclohexyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)cyclohexyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 119043051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).