N-[7-amino-1-(1,2-oxazol-3-yloxy)heptan-3-yl]-2-methoxy-2-methylpropanamide

C15H27N3O4 — CID 134356625

IUPACN-[7-amino-1-(1,2-oxazol-3-yloxy)heptan-3-yl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC(CCCCN)CCOc1ccon1
InChIInChI=1S/C15H27N3O4/c1-15(2,20-3)14(19)17-12(6-4-5-9-16)7-10-21-13-8-11-22-18-13/h8,11-12H,4-7,9-10,16H2,1-3H3,(H,17,19)
InChIKeyYNIQDBAGEPGLRS-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.48
Rot. Bonds11

About N-[7-amino-1-(1,2-oxazol-3-yloxy)heptan-3-yl]-2-methoxy-2-methylpropanamide

N-[7-amino-1-(1,2-oxazol-3-yloxy)heptan-3-yl]-2-methoxy-2-methylpropanamide (PubChem CID 134356625) has the molecular formula C15H27N3O4 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[7-amino-1-(1,2-oxazol-3-yloxy)heptan-3-yl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[7-amino-1-(1,2-oxazol-3-yloxy)heptan-3-yl]-2-methoxy-2-methylpropanamide
PubChem CID134356625
Molecular FormulaC15H27N3O4
Molecular Weight313.40 g/mol
Exact Mass313.20
IUPAC NameN-[7-amino-1-(1,2-oxazol-3-yloxy)heptan-3-yl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC(CCCCN)CCOc1ccon1
InChIInChI=1S/C15H27N3O4/c1-15(2,20-3)14(19)17-12(6-4-5-9-16)7-10-21-13-8-11-22-18-13/h8,11-12H,4-7,9-10,16H2,1-3H3,(H,17,19)
InChIKeyYNIQDBAGEPGLRS-UHFFFAOYSA-N
XLogP1.48
TPSA99.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-[7-amino-1-(1,2-oxazol-3-yloxy)heptan-3-yl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[7-amino-1-(1,2-oxazol-3-yloxy)heptan-3-yl]-2-methoxy-2-methylpropanamide (CID 134356625) is N-[7-amino-1-(1,2-oxazol-3-yloxy)heptan-3-yl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[7-amino-1-(1,2-oxazol-3-yloxy)heptan-3-yl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[7-amino-1-(1,2-oxazol-3-yloxy)heptan-3-yl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)NC(CCCCN)CCOc1ccon1.
What is the InChIKey of N-[7-amino-1-(1,2-oxazol-3-yloxy)heptan-3-yl]-2-methoxy-2-methylpropanamide?
The InChIKey is YNIQDBAGEPGLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4/c1-15(2,20-3)14(19)17-12(6-4-5-9-16)7-10-21-13-8-11-22-18-13/h8,11-12H,4-7,9-10,16H2,1-3H3,(H,17,19).
What are the key properties of N-[7-amino-1-(1,2-oxazol-3-yloxy)heptan-3-yl]-2-methoxy-2-methylpropanamide?
N-[7-amino-1-(1,2-oxazol-3-yloxy)heptan-3-yl]-2-methoxy-2-methylpropanamide has a molecular weight of 313.40 g/mol, XLogP of 1.48, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-amino-1-(1,2-oxazol-3-yloxy)heptan-3-yl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 134356625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).