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

C16H27N3O2 — CID 75527495

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC1CCN(Cc2c(C)noc2C)CC1
InChIInChI=1S/C16H27N3O2/c1-5-11(2)16(20)17-14-6-8-19(9-7-14)10-15-12(3)18-21-13(15)4/h11,14H,5-10H2,1-4H3,(H,17,20)
InChIKeyMFGNISHIMHSXNU-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.42
Rot. Bonds5

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

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide (PubChem CID 75527495) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide
PubChem CID75527495
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC1CCN(Cc2c(C)noc2C)CC1
InChIInChI=1S/C16H27N3O2/c1-5-11(2)16(20)17-14-6-8-19(9-7-14)10-15-12(3)18-21-13(15)4/h11,14H,5-10H2,1-4H3,(H,17,20)
InChIKeyMFGNISHIMHSXNU-UHFFFAOYSA-N
XLogP2.42
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide
CID 98042032
(2S)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylpropanamide
CID 98042028
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylacetamide
CID 75461556
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 75527487
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]propane-1-sulfonamide
CID 37362654
5-cyclopropyl-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 171146250
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 154583218
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylacetamide
CID 171146257
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119857198
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907958
N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]furan-3-carboxamide
CID 98042037
N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide
CID 99740337

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide (CID 75527495) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide is CCC(C)C(=O)NC1CCN(Cc2c(C)noc2C)CC1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide?
The InChIKey is MFGNISHIMHSXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-11(2)16(20)17-14-6-8-19(9-7-14)10-15-12(3)18-21-13(15)4/h11,14H,5-10H2,1-4H3,(H,17,20).
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide has a molecular weight of 293.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide is sourced from PubChem (CID 75527495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).