methyl 2-[[pentyl-[(3R)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxylate

C20H34N2O4 — CID 7356750

IUPACmethyl 2-[[pentyl-[(3R)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCCCCN(Cc1nc(C(=O)OC)co1)C(=O)C[C@H](C)CC(C)(C)C
InChIInChI=1S/C20H34N2O4/c1-7-8-9-10-22(18(23)11-15(2)12-20(3,4)5)13-17-21-16(14-26-17)19(24)25-6/h14-15H,7-13H2,1-6H3/t15-/m0/s1
InChIKeyHVUJEZZYIRBMBO-HNNXBMFYSA-N
MW366.50 g/mol
LogP4.44
Rot. Bonds10

About methyl 2-[[pentyl-[(3R)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[pentyl-[(3R)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 7356750) has the molecular formula C20H34N2O4 and a molecular weight of 366.50 g/mol. Its IUPAC name is methyl 2-[[pentyl-[(3R)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[pentyl-[(3R)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxylate
PubChem CID7356750
Molecular FormulaC20H34N2O4
Molecular Weight366.50 g/mol
Exact Mass366.25
IUPAC Namemethyl 2-[[pentyl-[(3R)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCCCCN(Cc1nc(C(=O)OC)co1)C(=O)C[C@H](C)CC(C)(C)C
InChIInChI=1S/C20H34N2O4/c1-7-8-9-10-22(18(23)11-15(2)12-20(3,4)5)13-17-21-16(14-26-17)19(24)25-6/h14-15H,7-13H2,1-6H3/t15-/m0/s1
InChIKeyHVUJEZZYIRBMBO-HNNXBMFYSA-N
XLogP4.44
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 54.44
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[pentyl-[(3R)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[pentyl-[(3R)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxylate (CID 7356750) is methyl 2-[[pentyl-[(3R)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[pentyl-[(3R)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[pentyl-[(3R)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxylate is CCCCCN(Cc1nc(C(=O)OC)co1)C(=O)C[C@H](C)CC(C)(C)C.
What is the InChIKey of methyl 2-[[pentyl-[(3R)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is HVUJEZZYIRBMBO-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H34N2O4/c1-7-8-9-10-22(18(23)11-15(2)12-20(3,4)5)13-17-21-16(14-26-17)19(24)25-6/h14-15H,7-13H2,1-6H3/t15-/m0/s1.
What are the key properties of methyl 2-[[pentyl-[(3R)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[pentyl-[(3R)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 366.50 g/mol, XLogP of 4.44, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[pentyl-[(3R)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 7356750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).