methyl 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylate

C13H19NO3 — CID 107003577

IUPACmethyl 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylate
SMILESCCCc1nc(C2CC2(C)C)oc1C(=O)OC
InChIInChI=1S/C13H19NO3/c1-5-6-9-10(12(15)16-4)17-11(14-9)8-7-13(8,2)3/h8H,5-7H2,1-4H3
InChIKeyNTPLKAWEUIVPJQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.93
Rot. Bonds4

About methyl 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylate

methyl 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylate (PubChem CID 107003577) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylate
PubChem CID107003577
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylate
SMILESCCCc1nc(C2CC2(C)C)oc1C(=O)OC
InChIInChI=1S/C13H19NO3/c1-5-6-9-10(12(15)16-4)17-11(14-9)8-7-13(8,2)3/h8H,5-7H2,1-4H3
InChIKeyNTPLKAWEUIVPJQ-UHFFFAOYSA-N
XLogP2.93
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 107003583
methyl 2-cyclooctyl-4-propyl-1,3-oxazole-5-carboxylate
CID 114371262
methyl 2-(2,2-dimethylcyclohexyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 107185683
methyl 2-(2-methylbutyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114877409
methyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371286
methyl 2-[1-(2-methylpropyl)cyclopentyl]-4-propyl-1,3-oxazole-5-carboxylate
CID 114371195
methyl 2-(5-chlorofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate
CID 106690540
methyl 2-(7-bicyclo[4.1.0]heptanyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371958
methyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371184
methyl 2-(5-iodothiophen-3-yl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371049
methyl 2-(2,5-dichlorophenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371068
methyl 2-(2,4-dibromophenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 107942073

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylate (CID 107003577) is methyl 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylate is CCCc1nc(C2CC2(C)C)oc1C(=O)OC.
What is the InChIKey of methyl 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylate?
The InChIKey is NTPLKAWEUIVPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-5-6-9-10(12(15)16-4)17-11(14-9)8-7-13(8,2)3/h8H,5-7H2,1-4H3.
What are the key properties of methyl 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylate?
methyl 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 107003577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).