N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide

C15H23N3O4 — CID 4197817

IUPACN-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide
SMILESCOCCCN(CC(=O)Nc1cc(C)on1)C(=O)C1CCC1
InChIInChI=1S/C15H23N3O4/c1-11-9-13(17-22-11)16-14(19)10-18(7-4-8-21-2)15(20)12-5-3-6-12/h9,12H,3-8,10H2,1-2H3,(H,16,17,19)
InChIKeyRQZZGWUSKFKPPX-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.59
Rot. Bonds8

About N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide

N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide (PubChem CID 4197817) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide
PubChem CID4197817
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC NameN-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide
SMILESCOCCCN(CC(=O)Nc1cc(C)on1)C(=O)C1CCC1
InChIInChI=1S/C15H23N3O4/c1-11-9-13(17-22-11)16-14(19)10-18(7-4-8-21-2)15(20)12-5-3-6-12/h9,12H,3-8,10H2,1-2H3,(H,16,17,19)
InChIKeyRQZZGWUSKFKPPX-UHFFFAOYSA-N
XLogP1.59
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide
CID 3357458
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide
CID 814628
N-hexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 42768823
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 814627
N-cyclohexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 42768746
2-[cyclohexanecarbonyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]ethyl-diethylazanium
CID 7263209
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclohexanecarboxamide
CID 813521
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ium-4-ylpropyl)cyclopentanecarboxamide
CID 7360968
3-[acetyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113117245
N-(3-methoxypropyl)-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3339655
N-(3-methoxypropyl)-2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3524677
2-[3-methoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4165943

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide?
The IUPAC name of N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide (CID 4197817) is N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide?
The canonical SMILES for N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide is COCCCN(CC(=O)Nc1cc(C)on1)C(=O)C1CCC1.
What is the InChIKey of N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide?
The InChIKey is RQZZGWUSKFKPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-11-9-13(17-22-11)16-14(19)10-18(7-4-8-21-2)15(20)12-5-3-6-12/h9,12H,3-8,10H2,1-2H3,(H,16,17,19).
What are the key properties of N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide?
N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide has a molecular weight of 309.37 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide is sourced from PubChem (CID 4197817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).