methyl 5-[3-methoxypropyl-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]-5-oxopentanoate

C15H23N3O6 — CID 4017704

IUPACmethyl 5-[3-methoxypropyl-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]-5-oxopentanoate
SMILESCOCCCN(CC(=O)Nc1ccon1)C(=O)CCCC(=O)OC
InChIInChI=1S/C15H23N3O6/c1-22-9-4-8-18(14(20)5-3-6-15(21)23-2)11-13(19)16-12-7-10-24-17-12/h7,10H,3-6,8-9,11H2,1-2H3,(H,16,17,19)
InChIKeyPNTNHZQPLSEKNV-UHFFFAOYSA-N
MW341.36 g/mol
LogP0.82
Rot. Bonds11

About methyl 5-[3-methoxypropyl-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]-5-oxopentanoate

methyl 5-[3-methoxypropyl-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]-5-oxopentanoate (PubChem CID 4017704) has the molecular formula C15H23N3O6 and a molecular weight of 341.36 g/mol. Its IUPAC name is methyl 5-[3-methoxypropyl-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[3-methoxypropyl-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]-5-oxopentanoate
PubChem CID4017704
Molecular FormulaC15H23N3O6
Molecular Weight341.36 g/mol
Exact Mass341.16
IUPAC Namemethyl 5-[3-methoxypropyl-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]-5-oxopentanoate
SMILESCOCCCN(CC(=O)Nc1ccon1)C(=O)CCCC(=O)OC
InChIInChI=1S/C15H23N3O6/c1-22-9-4-8-18(14(20)5-3-6-15(21)23-2)11-13(19)16-12-7-10-24-17-12/h7,10H,3-6,8-9,11H2,1-2H3,(H,16,17,19)
InChIKeyPNTNHZQPLSEKNV-UHFFFAOYSA-N
XLogP0.82
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42771642
N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]pentanamide
CID 42769137
N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 5176062
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]hexanamide
CID 4080850
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663984
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 4075259
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663973
N-(3-methoxypropyl)-4-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 42771623
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propyltetradecanamide
CID 42664167
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopentanecarboxamide
CID 42771710
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 3568028
2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide
CID 4205625

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-methoxypropyl-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]-5-oxopentanoate?
The IUPAC name of methyl 5-[3-methoxypropyl-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]-5-oxopentanoate (CID 4017704) is methyl 5-[3-methoxypropyl-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[3-methoxypropyl-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]-5-oxopentanoate?
The canonical SMILES for methyl 5-[3-methoxypropyl-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]-5-oxopentanoate is COCCCN(CC(=O)Nc1ccon1)C(=O)CCCC(=O)OC.
What is the InChIKey of methyl 5-[3-methoxypropyl-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]-5-oxopentanoate?
The InChIKey is PNTNHZQPLSEKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O6/c1-22-9-4-8-18(14(20)5-3-6-15(21)23-2)11-13(19)16-12-7-10-24-17-12/h7,10H,3-6,8-9,11H2,1-2H3,(H,16,17,19).
What are the key properties of methyl 5-[3-methoxypropyl-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]-5-oxopentanoate?
methyl 5-[3-methoxypropyl-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]-5-oxopentanoate has a molecular weight of 341.36 g/mol, XLogP of 0.82, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-methoxypropyl-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]-5-oxopentanoate is sourced from PubChem (CID 4017704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).