7-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptanamide

C13H23N3O2 — CID 114182386

IUPAC7-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptanamide
SMILESCc1cnc(C(C)NC(=O)CCCCCCN)o1
InChIInChI=1S/C13H23N3O2/c1-10-9-15-13(18-10)11(2)16-12(17)7-5-3-4-6-8-14/h9,11H,3-8,14H2,1-2H3,(H,16,17)
InChIKeyWIBNKZXRZOAOPV-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.07
Rot. Bonds8

About 7-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptanamide

7-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptanamide (PubChem CID 114182386) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 7-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptanamide
PubChem CID114182386
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name7-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptanamide
SMILESCc1cnc(C(C)NC(=O)CCCCCCN)o1
InChIInChI=1S/C13H23N3O2/c1-10-9-15-13(18-10)11(2)16-12(17)7-5-3-4-6-8-14/h9,11H,3-8,14H2,1-2H3,(H,16,17)
InChIKeyWIBNKZXRZOAOPV-UHFFFAOYSA-N
XLogP2.07
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.07
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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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptanamide?
The IUPAC name of 7-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptanamide (CID 114182386) is 7-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptanamide is Cc1cnc(C(C)NC(=O)CCCCCCN)o1.
What is the InChIKey of 7-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptanamide?
The InChIKey is WIBNKZXRZOAOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10-9-15-13(18-10)11(2)16-12(17)7-5-3-4-6-8-14/h9,11H,3-8,14H2,1-2H3,(H,16,17).
What are the key properties of 7-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptanamide?
7-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptanamide has a molecular weight of 253.35 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptanamide is sourced from PubChem (CID 114182386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).