N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide

C21H33N3O3 — CID 97268592

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N(CC1CCN(C2CCCC2)CC1)C[C@@H]1CCCO1
InChIInChI=1S/C21H33N3O3/c1-16-20(22-15-27-16)21(25)24(14-19-7-4-12-26-19)13-17-8-10-23(11-9-17)18-5-2-3-6-18/h15,17-19H,2-14H2,1H3/t19-/m0/s1
InChIKeyRKYRIRKPXGIYLH-IBGZPJMESA-N
MW375.51 g/mol
LogP3.26
Rot. Bonds6

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 97268592) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID97268592
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N(CC1CCN(C2CCCC2)CC1)C[C@@H]1CCCO1
InChIInChI=1S/C21H33N3O3/c1-16-20(22-15-27-16)21(25)24(14-19-7-4-12-26-19)13-17-8-10-23(11-9-17)18-5-2-3-6-18/h15,17-19H,2-14H2,1H3/t19-/m0/s1
InChIKeyRKYRIRKPXGIYLH-IBGZPJMESA-N
XLogP3.26
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 42094625
N-ethyl-5-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 131931546
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 72848069
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrrole-3-carboxamide
CID 97272542
N-[(1-cyclopentylpiperidin-4-yl)methyl]-6-methyl-4-oxo-N-(oxolan-2-ylmethyl)pyran-2-carboxamide
CID 72889792
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42595629
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylpropanamide
CID 42292205
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-3-pyridin-2-ylpropanamide
CID 45185082
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(1-methylcyclopropyl)-N-(oxolan-2-ylmethyl)propanamide
CID 45195710
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 42463207
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 26329204
N-(cyclobutylmethyl)-2-(ethylamino)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 97147899

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide (CID 97268592) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)N(CC1CCN(C2CCCC2)CC1)C[C@@H]1CCCO1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is RKYRIRKPXGIYLH-IBGZPJMESA-N. The full InChI is InChI=1S/C21H33N3O3/c1-16-20(22-15-27-16)21(25)24(14-19-7-4-12-26-19)13-17-8-10-23(11-9-17)18-5-2-3-6-18/h15,17-19H,2-14H2,1H3/t19-/m0/s1.
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 97268592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).