N-[2-(cycloheptylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

C14H23N3O2 — CID 115306447

IUPACN-[2-(cycloheptylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCCNC1CCCCCC1
InChIInChI=1S/C14H23N3O2/c1-11-13(10-17-19-11)14(18)16-9-8-15-12-6-4-2-3-5-7-12/h10,12,15H,2-9H2,1H3,(H,16,18)
InChIKeyAHZWJMHTBZBJDA-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.03
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[2-(cycloheptylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 115306447) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID115306447
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[2-(cycloheptylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCCNC1CCCCCC1
InChIInChI=1S/C14H23N3O2/c1-11-13(10-17-19-11)14(18)16-9-8-15-12-6-4-2-3-5-7-12/h10,12,15H,2-9H2,1H3,(H,16,18)
InChIKeyAHZWJMHTBZBJDA-UHFFFAOYSA-N
XLogP2.03
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.03
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-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 81482919
N-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide
CID 81483390
N-(2-acetamidoethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682601
N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 115306432
N-[(1-hydroxycycloheptyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 65122812
5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide
CID 63628731
N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104593540
N-[2-(cycloheptylamino)ethyl]-2-iodo-3-methylbenzamide
CID 103807397
3-bromo-N-[2-(cycloheptylamino)ethyl]-2-methylbenzamide
CID 81486868
5-methyl-N-(2-methylcyclohexyl)-1,2-oxazole-4-carboxamide
CID 54393495
N-[2-(cycloheptylamino)ethyl]-3,5-dimethylfuran-2-carboxamide
CID 119619721
N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 103969910

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 115306447) is N-[2-(cycloheptylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is AHZWJMHTBZBJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-13(10-17-19-11)14(18)16-9-8-15-12-6-4-2-3-5-7-12/h10,12,15H,2-9H2,1H3,(H,16,18).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[2-(cycloheptylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 115306447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).