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

C17H27N3O2 — CID 91633762

IUPACN-cyclohexyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCC1CCN(Cc2nc(C(=O)NC3CCCCC3)co2)CC1
InChIInChI=1S/C17H27N3O2/c1-13-7-9-20(10-8-13)11-16-19-15(12-22-16)17(21)18-14-5-3-2-4-6-14/h12-14H,2-11H2,1H3,(H,18,21)
InChIKeyQMPNBZFFJDPVBE-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.97
Rot. Bonds4

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

N-cyclohexyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 91633762) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID91633762
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-cyclohexyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCC1CCN(Cc2nc(C(=O)NC3CCCCC3)co2)CC1
InChIInChI=1S/C17H27N3O2/c1-13-7-9-20(10-8-13)11-16-19-15(12-22-16)17(21)18-14-5-3-2-4-6-14/h12-14H,2-11H2,1H3,(H,18,21)
InChIKeyQMPNBZFFJDPVBE-UHFFFAOYSA-N
XLogP2.97
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide (CID 91633762) is N-cyclohexyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide is CC1CCN(Cc2nc(C(=O)NC3CCCCC3)co2)CC1.
What is the InChIKey of N-cyclohexyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is QMPNBZFFJDPVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-7-9-20(10-8-13)11-16-19-15(12-22-16)17(21)18-14-5-3-2-4-6-14/h12-14H,2-11H2,1H3,(H,18,21).
What are the key properties of N-cyclohexyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide?
N-cyclohexyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 91633762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).