2-(1-amino-2-methylbutyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide

C18H32N4O2 — CID 3800262

IUPAC2-(1-amino-2-methylbutyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide
SMILESCCC(C)C(N)c1nc(C(=O)NCCCN2CCCCC2C)co1
InChIInChI=1S/C18H32N4O2/c1-4-13(2)16(19)18-21-15(12-24-18)17(23)20-9-7-11-22-10-6-5-8-14(22)3/h12-14,16H,4-11,19H2,1-3H3,(H,20,23)
InChIKeyNYJIZKVEXJIICE-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.71
Rot. Bonds8

About 2-(1-amino-2-methylbutyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide

2-(1-amino-2-methylbutyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide (PubChem CID 3800262) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-(1-amino-2-methylbutyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-methylbutyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide
PubChem CID3800262
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name2-(1-amino-2-methylbutyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide
SMILESCCC(C)C(N)c1nc(C(=O)NCCCN2CCCCC2C)co1
InChIInChI=1S/C18H32N4O2/c1-4-13(2)16(19)18-21-15(12-24-18)17(23)20-9-7-11-22-10-6-5-8-14(22)3/h12-14,16H,4-11,19H2,1-3H3,(H,20,23)
InChIKeyNYJIZKVEXJIICE-UHFFFAOYSA-N
XLogP2.71
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminoethyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide
CID 3868923
2-ethyl-N-[4-[(2S)-2-methylpiperidin-1-yl]butyl]-1,3-oxazole-4-carboxamide
CID 97353226
2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3866894
2-(1-amino-2-methylbutyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3847133
2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 62794675
2-(1-amino-2-hydroxypropyl)-N-dodecyl-1,3-oxazole-4-carboxamide
CID 3868123
N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63037909
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 95074891
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide
CID 9472411
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
CID 47140611
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-oxazole-4-carboxamide
CID 7430538
(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylbutyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-methylbutyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide (CID 3800262) is 2-(1-amino-2-methylbutyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-methylbutyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-methylbutyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide is CCC(C)C(N)c1nc(C(=O)NCCCN2CCCCC2C)co1.
What is the InChIKey of 2-(1-amino-2-methylbutyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide?
The InChIKey is NYJIZKVEXJIICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-4-13(2)16(19)18-21-15(12-24-18)17(23)20-9-7-11-22-10-6-5-8-14(22)3/h12-14,16H,4-11,19H2,1-3H3,(H,20,23).
What are the key properties of 2-(1-amino-2-methylbutyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide?
2-(1-amino-2-methylbutyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylbutyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3800262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).