N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopentane-1-carboxamide

C19H31N3O2 — CID 56787255

IUPACN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopentane-1-carboxamide
SMILESCc1nc(CN2CCC(CNC(=O)C3(C)CCCC3)CC2)oc1C
InChIInChI=1S/C19H31N3O2/c1-14-15(2)24-17(21-14)13-22-10-6-16(7-11-22)12-20-18(23)19(3)8-4-5-9-19/h16H,4-13H2,1-3H3,(H,20,23)
InChIKeyBRMUXVPPLLFPES-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.20
Rot. Bonds5

About N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopentane-1-carboxamide

N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopentane-1-carboxamide (PubChem CID 56787255) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopentane-1-carboxamide
PubChem CID56787255
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopentane-1-carboxamide
SMILESCc1nc(CN2CCC(CNC(=O)C3(C)CCCC3)CC2)oc1C
InChIInChI=1S/C19H31N3O2/c1-14-15(2)24-17(21-14)13-22-10-6-16(7-11-22)12-20-18(23)19(3)8-4-5-9-19/h16H,4-13H2,1-3H3,(H,20,23)
InChIKeyBRMUXVPPLLFPES-UHFFFAOYSA-N
XLogP3.20
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopentane-1-carboxamide (CID 56787255) is N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopentane-1-carboxamide is Cc1nc(CN2CCC(CNC(=O)C3(C)CCCC3)CC2)oc1C.
What is the InChIKey of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopentane-1-carboxamide?
The InChIKey is BRMUXVPPLLFPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-14-15(2)24-17(21-14)13-22-10-6-16(7-11-22)12-20-18(23)19(3)8-4-5-9-19/h16H,4-13H2,1-3H3,(H,20,23).
What are the key properties of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopentane-1-carboxamide?
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopentane-1-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 56787255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).