N-(6-aminohexyl)-5-methyl-1,2-oxazole-3-carboxamide

C11H19N3O2 — CID 143192635

IUPACN-(6-aminohexyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCCCCN)no1
InChIInChI=1S/C11H19N3O2/c1-9-8-10(14-16-9)11(15)13-7-5-3-2-4-6-12/h8H,2-7,12H2,1H3,(H,13,15)
InChIKeyCQCLTTZMLPWEFI-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.23
Rot. Bonds7

About N-(6-aminohexyl)-5-methyl-1,2-oxazole-3-carboxamide

N-(6-aminohexyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 143192635) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(6-aminohexyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID143192635
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(6-aminohexyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCCCCN)no1
InChIInChI=1S/C11H19N3O2/c1-9-8-10(14-16-9)11(15)13-7-5-3-2-4-6-12/h8H,2-7,12H2,1H3,(H,13,15)
InChIKeyCQCLTTZMLPWEFI-UHFFFAOYSA-N
XLogP1.23
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 110833086
N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
CID 21297353
N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 60668189
N-[3-(2-chloroethoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 106306919
N-(3-aminopropyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 121209358
N-[2-(4-aminophenoxy)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 63237844
N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 83030687
N-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8991000
N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 115636549
N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104872804
5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide
CID 59224444
5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51072498

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(6-aminohexyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 143192635) is N-(6-aminohexyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(6-aminohexyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(6-aminohexyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCCCCCN)no1.
What is the InChIKey of N-(6-aminohexyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is CQCLTTZMLPWEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9-8-10(14-16-9)11(15)13-7-5-3-2-4-6-12/h8H,2-7,12H2,1H3,(H,13,15).
What are the key properties of N-(6-aminohexyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(6-aminohexyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 143192635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).