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

C16H27N3O2 — CID 71919607

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCCC(CC(C)C)C2)oc1C
InChIInChI=1S/C16H27N3O2/c1-11(2)8-14-6-5-7-19(10-14)16(20)17-9-15-18-12(3)13(4)21-15/h11,14H,5-10H2,1-4H3,(H,17,20)
InChIKeyXZNQAEQRRGDAKR-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.26
Rot. Bonds4

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide (PubChem CID 71919607) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide
PubChem CID71919607
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCCC(CC(C)C)C2)oc1C
InChIInChI=1S/C16H27N3O2/c1-11(2)8-14-6-5-7-19(10-14)16(20)17-9-15-18-12(3)13(4)21-15/h11,14H,5-10H2,1-4H3,(H,17,20)
InChIKeyXZNQAEQRRGDAKR-UHFFFAOYSA-N
XLogP3.26
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]azetidin-3-yl]acetic acid
CID 114180734
(3S)-3-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 95930872
(2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 106374898
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111143968
N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734214
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111505139
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropanecarboxamide
CID 103623190
cyclopropylmethyl N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]carbamate
CID 154804982
N-(cyclopentylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 155954949
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpropanamide
CID 106371786
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153219
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 106374874

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide (CID 71919607) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide is Cc1nc(CNC(=O)N2CCCC(CC(C)C)C2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide?
The InChIKey is XZNQAEQRRGDAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(2)8-14-6-5-7-19(10-14)16(20)17-9-15-18-12(3)13(4)21-15/h11,14H,5-10H2,1-4H3,(H,17,20).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 71919607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).