methyl 2-[[cyclobutanecarbonyl(pentyl)amino]methyl]-1,3-oxazole-4-carboxylate

C16H24N2O4 — CID 42766681

IUPACmethyl 2-[[cyclobutanecarbonyl(pentyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCCCCN(Cc1nc(C(=O)OC)co1)C(=O)C1CCC1
InChIInChI=1S/C16H24N2O4/c1-3-4-5-9-18(15(19)12-7-6-8-12)10-14-17-13(11-22-14)16(20)21-2/h11-12H,3-10H2,1-2H3
InChIKeyCERHTIGCVCQSOC-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.78
Rot. Bonds8

About methyl 2-[[cyclobutanecarbonyl(pentyl)amino]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[cyclobutanecarbonyl(pentyl)amino]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 42766681) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl 2-[[cyclobutanecarbonyl(pentyl)amino]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[cyclobutanecarbonyl(pentyl)amino]methyl]-1,3-oxazole-4-carboxylate
PubChem CID42766681
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Namemethyl 2-[[cyclobutanecarbonyl(pentyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCCCCN(Cc1nc(C(=O)OC)co1)C(=O)C1CCC1
InChIInChI=1S/C16H24N2O4/c1-3-4-5-9-18(15(19)12-7-6-8-12)10-14-17-13(11-22-14)16(20)21-2/h11-12H,3-10H2,1-2H3
InChIKeyCERHTIGCVCQSOC-UHFFFAOYSA-N
XLogP2.78
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
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-[[cyclopropanecarbonyl(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4539284
2-[[cyclohexanecarbonyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide
CID 3396917
methyl 2-[[cyclobutanecarbonyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 810732
methyl 2-[[(4-methoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate
CID 4004369
methyl 2-[[pentyl-[(3R)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 7356750
methyl 2-[[cyclopropanecarbonyl(pentyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766747
methyl 2-[[butylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4281802
methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3434185
methyl 2-[[(4-nitrophenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate
CID 5109294
methyl 2-[[(4-hexylbenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 4006125
methyl 2-[[3,3-dimethylbutanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 5138437
methyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3417684

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[cyclobutanecarbonyl(pentyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[cyclobutanecarbonyl(pentyl)amino]methyl]-1,3-oxazole-4-carboxylate (CID 42766681) is methyl 2-[[cyclobutanecarbonyl(pentyl)amino]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[cyclobutanecarbonyl(pentyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[cyclobutanecarbonyl(pentyl)amino]methyl]-1,3-oxazole-4-carboxylate is CCCCCN(Cc1nc(C(=O)OC)co1)C(=O)C1CCC1.
What is the InChIKey of methyl 2-[[cyclobutanecarbonyl(pentyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is CERHTIGCVCQSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-3-4-5-9-18(15(19)12-7-6-8-12)10-14-17-13(11-22-14)16(20)21-2/h11-12H,3-10H2,1-2H3.
What are the key properties of methyl 2-[[cyclobutanecarbonyl(pentyl)amino]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[cyclobutanecarbonyl(pentyl)amino]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 308.38 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-[[cyclobutanecarbonyl(pentyl)amino]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 42766681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).