N-[6-(diaminomethylideneamino)-1-(1,2-oxazol-3-yloxy)-2-oxohexan-3-yl]-2-methoxy-2-methylpropanamide

C15H25N5O5 — CID 155128797

IUPACN-[6-(diaminomethylideneamino)-1-(1,2-oxazol-3-yloxy)-2-oxohexan-3-yl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC(CCCN=C(N)N)C(=O)COc1ccon1
InChIInChI=1S/C15H25N5O5/c1-15(2,23-3)13(22)19-10(5-4-7-18-14(16)17)11(21)9-24-12-6-8-25-20-12/h6,8,10H,4-5,7,9H2,1-3H3,(H,19,22)(H4,16,17,18)
InChIKeyBSCMNRBIZKPHSF-UHFFFAOYSA-N
MW355.40 g/mol
LogP-0.41
Rot. Bonds11

About N-[6-(diaminomethylideneamino)-1-(1,2-oxazol-3-yloxy)-2-oxohexan-3-yl]-2-methoxy-2-methylpropanamide

N-[6-(diaminomethylideneamino)-1-(1,2-oxazol-3-yloxy)-2-oxohexan-3-yl]-2-methoxy-2-methylpropanamide (PubChem CID 155128797) has the molecular formula C15H25N5O5 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[6-(diaminomethylideneamino)-1-(1,2-oxazol-3-yloxy)-2-oxohexan-3-yl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-(diaminomethylideneamino)-1-(1,2-oxazol-3-yloxy)-2-oxohexan-3-yl]-2-methoxy-2-methylpropanamide
PubChem CID155128797
Molecular FormulaC15H25N5O5
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC NameN-[6-(diaminomethylideneamino)-1-(1,2-oxazol-3-yloxy)-2-oxohexan-3-yl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC(CCCN=C(N)N)C(=O)COc1ccon1
InChIInChI=1S/C15H25N5O5/c1-15(2,23-3)13(22)19-10(5-4-7-18-14(16)17)11(21)9-24-12-6-8-25-20-12/h6,8,10H,4-5,7,9H2,1-3H3,(H,19,22)(H4,16,17,18)
InChIKeyBSCMNRBIZKPHSF-UHFFFAOYSA-N
XLogP-0.41
TPSA155.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(diaminomethylideneamino)-1-(1,2-oxazol-3-yloxy)-2-oxohexan-3-yl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[6-(diaminomethylideneamino)-1-(1,2-oxazol-3-yloxy)-2-oxohexan-3-yl]-2-methoxy-2-methylpropanamide (CID 155128797) is N-[6-(diaminomethylideneamino)-1-(1,2-oxazol-3-yloxy)-2-oxohexan-3-yl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[6-(diaminomethylideneamino)-1-(1,2-oxazol-3-yloxy)-2-oxohexan-3-yl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[6-(diaminomethylideneamino)-1-(1,2-oxazol-3-yloxy)-2-oxohexan-3-yl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)NC(CCCN=C(N)N)C(=O)COc1ccon1.
What is the InChIKey of N-[6-(diaminomethylideneamino)-1-(1,2-oxazol-3-yloxy)-2-oxohexan-3-yl]-2-methoxy-2-methylpropanamide?
The InChIKey is BSCMNRBIZKPHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O5/c1-15(2,23-3)13(22)19-10(5-4-7-18-14(16)17)11(21)9-24-12-6-8-25-20-12/h6,8,10H,4-5,7,9H2,1-3H3,(H,19,22)(H4,16,17,18).
What are the key properties of N-[6-(diaminomethylideneamino)-1-(1,2-oxazol-3-yloxy)-2-oxohexan-3-yl]-2-methoxy-2-methylpropanamide?
N-[6-(diaminomethylideneamino)-1-(1,2-oxazol-3-yloxy)-2-oxohexan-3-yl]-2-methoxy-2-methylpropanamide has a molecular weight of 355.40 g/mol, XLogP of -0.41, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diaminomethylideneamino)-1-(1,2-oxazol-3-yloxy)-2-oxohexan-3-yl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 155128797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).