methyl 2-[1-(2-methylpropyl)cyclopentyl]-4-propyl-1,3-oxazole-5-carboxylate

C17H27NO3 — CID 114371195

IUPACmethyl 2-[1-(2-methylpropyl)cyclopentyl]-4-propyl-1,3-oxazole-5-carboxylate
SMILESCCCc1nc(C2(CC(C)C)CCCC2)oc1C(=O)OC
InChIInChI=1S/C17H27NO3/c1-5-8-13-14(15(19)20-4)21-16(18-13)17(11-12(2)3)9-6-7-10-17/h12H,5-11H2,1-4H3
InChIKeyVWEDFIZRRSGJNJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.27
Rot. Bonds6

About methyl 2-[1-(2-methylpropyl)cyclopentyl]-4-propyl-1,3-oxazole-5-carboxylate

methyl 2-[1-(2-methylpropyl)cyclopentyl]-4-propyl-1,3-oxazole-5-carboxylate (PubChem CID 114371195) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is methyl 2-[1-(2-methylpropyl)cyclopentyl]-4-propyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[1-(2-methylpropyl)cyclopentyl]-4-propyl-1,3-oxazole-5-carboxylate
PubChem CID114371195
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Namemethyl 2-[1-(2-methylpropyl)cyclopentyl]-4-propyl-1,3-oxazole-5-carboxylate
SMILESCCCc1nc(C2(CC(C)C)CCCC2)oc1C(=O)OC
InChIInChI=1S/C17H27NO3/c1-5-8-13-14(15(19)20-4)21-16(18-13)17(11-12(2)3)9-6-7-10-17/h12H,5-11H2,1-4H3
InChIKeyVWEDFIZRRSGJNJ-UHFFFAOYSA-N
XLogP4.27
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-methylpropyl)cyclopentyl]-4-propyl-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-[1-(2-methylpropyl)cyclopentyl]-4-propyl-1,3-oxazole-5-carboxylate (CID 114371195) is methyl 2-[1-(2-methylpropyl)cyclopentyl]-4-propyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-[1-(2-methylpropyl)cyclopentyl]-4-propyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-[1-(2-methylpropyl)cyclopentyl]-4-propyl-1,3-oxazole-5-carboxylate is CCCc1nc(C2(CC(C)C)CCCC2)oc1C(=O)OC.
What is the InChIKey of methyl 2-[1-(2-methylpropyl)cyclopentyl]-4-propyl-1,3-oxazole-5-carboxylate?
The InChIKey is VWEDFIZRRSGJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-8-13-14(15(19)20-4)21-16(18-13)17(11-12(2)3)9-6-7-10-17/h12H,5-11H2,1-4H3.
What are the key properties of methyl 2-[1-(2-methylpropyl)cyclopentyl]-4-propyl-1,3-oxazole-5-carboxylate?
methyl 2-[1-(2-methylpropyl)cyclopentyl]-4-propyl-1,3-oxazole-5-carboxylate has a molecular weight of 293.41 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-methylpropyl)cyclopentyl]-4-propyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114371195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).