ethyl 5-cyclopropyl-3-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate

C14H21NO4 — CID 121414009

IUPACethyl 5-cyclopropyl-3-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(COC(C)(C)C)noc1C1CC1
InChIInChI=1S/C14H21NO4/c1-5-17-13(16)11-10(8-18-14(2,3)4)15-19-12(11)9-6-7-9/h9H,5-8H2,1-4H3
InChIKeyJJWKWCOYJFTUJW-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.04
Rot. Bonds5

About ethyl 5-cyclopropyl-3-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate

ethyl 5-cyclopropyl-3-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate (PubChem CID 121414009) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-3-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-3-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate
PubChem CID121414009
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nameethyl 5-cyclopropyl-3-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(COC(C)(C)C)noc1C1CC1
InChIInChI=1S/C14H21NO4/c1-5-17-13(16)11-10(8-18-14(2,3)4)15-19-12(11)9-6-7-9/h9H,5-8H2,1-4H3
InChIKeyJJWKWCOYJFTUJW-UHFFFAOYSA-N
XLogP3.04
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate
CID 66643541
methyl 3-[(2-methylpropan-2-yl)oxymethyl]-5-propyl-1,2-oxazole-4-carboxylate
CID 69007477
ethyl 5-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2-oxazole-4-carboxylate
CID 149081688
ethyl 5-cyclopropyl-4-(2-methyl-4-methylsulfonylbenzoyl)-1,2-oxazole-3-carboxylate
CID 54431611
2-[2-bromo-6-(5-cyclopropyl-3-ethoxycarbonyl-1,2-oxazole-4-carbonyl)phenyl]propan-2-ylphosphonic acid
CID 67699987
ethyl 3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate
CID 65401843
2-[2,3-dichloro-6-(5-cyclopropyl-3-ethoxycarbonyl-1,2-oxazole-4-carbonyl)phenyl]propan-2-ylphosphonic acid
CID 67700829
bicyclo[4.1.0]hepta-1,3,5-triene;ethyl 5-cyclopropyl-4-(2-fluorobenzoyl)-1,2-oxazole-3-carboxylate
CID 67600951
ethyl 5-cyclopropyl-4-(8-methylsulfonyl-2,3-dihydro-1,4-benzoxathiine-5-carbonyl)-1,2-oxazole-3-carboxylate
CID 54532384
ethyl 5-cyclopropyl-4-[2-(ethylsulfinylmethyl)benzoyl]-1,2-oxazole-3-carboxylate
CID 54414990
ethyl 4-cyclopropyl-2-(2-methylbutan-2-yl)-1,3-oxazole-5-carboxylate
CID 114372274
ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 11629661

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-3-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-3-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate (CID 121414009) is ethyl 5-cyclopropyl-3-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-3-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-3-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(COC(C)(C)C)noc1C1CC1.
What is the InChIKey of ethyl 5-cyclopropyl-3-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate?
The InChIKey is JJWKWCOYJFTUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-5-17-13(16)11-10(8-18-14(2,3)4)15-19-12(11)9-6-7-9/h9H,5-8H2,1-4H3.
What are the key properties of ethyl 5-cyclopropyl-3-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate?
ethyl 5-cyclopropyl-3-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate has a molecular weight of 267.32 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-3-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 121414009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).