methyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate

C15H24N2O4 — CID 3417684

IUPACmethyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCCCCC(=O)N(Cc1nc(C(=O)OC)co1)C(C)C
InChIInChI=1S/C15H24N2O4/c1-5-6-7-8-14(18)17(11(2)3)9-13-16-12(10-21-13)15(19)20-4/h10-11H,5-9H2,1-4H3
InChIKeyNVZSIQGFKMUXHW-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.78
Rot. Bonds8

About methyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 3417684) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
PubChem CID3417684
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Namemethyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCCCCC(=O)N(Cc1nc(C(=O)OC)co1)C(C)C
InChIInChI=1S/C15H24N2O4/c1-5-6-7-8-14(18)17(11(2)3)9-13-16-12(10-21-13)15(19)20-4/h10-11H,5-9H2,1-4H3
InChIKeyNVZSIQGFKMUXHW-UHFFFAOYSA-N
XLogP2.78
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 810736
methyl 2-[[cyclobutanecarbonyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 810732
methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3434185
methyl 2-[[pentyl-[(3R)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 7356750
ethyl 4-oxo-4-[propan-2-yl-[[4-(propan-2-ylcarbamoyl)-1,3-oxazol-2-yl]methyl]amino]butanoate
CID 4214606
methyl 2-[[(2-bromobenzoyl)-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate
CID 1197406
methyl 2-[[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate
CID 810996
2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 810576
methyl 2-(sulfanylmethyl)-1,3-oxazole-4-carboxylate
CID 165481835
methyl 2-[[cyclobutanecarbonyl(pentyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 42766681
N-(2-methylpropyl)-2-[[2-methylpropyl(octanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3890985
methyl 2-[[(4-acetamidophenyl)sulfonyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate
CID 3637655

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate (CID 3417684) is methyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate is CCCCCC(=O)N(Cc1nc(C(=O)OC)co1)C(C)C.
What is the InChIKey of methyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is NVZSIQGFKMUXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-5-6-7-8-14(18)17(11(2)3)9-13-16-12(10-21-13)15(19)20-4/h10-11H,5-9H2,1-4H3.
What are the key properties of methyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 3417684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).