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

C15H25N3O5 — CID 134347946

IUPACN-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)COc1ccon1
InChIInChI=1S/C15H25N3O5/c1-15(2,21-3)14(20)17-11(6-4-5-8-16)12(19)10-22-13-7-9-23-18-13/h7,9,11H,4-6,8,10,16H2,1-3H3,(H,17,20)/t11-/m0/s1
InChIKeyFDDIUJDBJNPLDQ-NSHDSACASA-N
MW327.38 g/mol
LogP0.66
Rot. Bonds11

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

N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide (PubChem CID 134347946) has the molecular formula C15H25N3O5 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide
PubChem CID134347946
Molecular FormulaC15H25N3O5
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC NameN-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)COc1ccon1
InChIInChI=1S/C15H25N3O5/c1-15(2,21-3)14(20)17-11(6-4-5-8-16)12(19)10-22-13-7-9-23-18-13/h7,9,11H,4-6,8,10,16H2,1-3H3,(H,17,20)/t11-/m0/s1
InChIKeyFDDIUJDBJNPLDQ-NSHDSACASA-N
XLogP0.66
TPSA116.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide (CID 134347946) is N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)COc1ccon1.
What is the InChIKey of N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide?
The InChIKey is FDDIUJDBJNPLDQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H25N3O5/c1-15(2,21-3)14(20)17-11(6-4-5-8-16)12(19)10-22-13-7-9-23-18-13/h7,9,11H,4-6,8,10,16H2,1-3H3,(H,17,20)/t11-/m0/s1.
What are the key properties of N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide?
N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide has a molecular weight of 327.38 g/mol, XLogP of 0.66, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 134347946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).