ethyl 2-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate

C14H21NO3 — CID 114372636

IUPACethyl 2-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C2CC2C)nc1CC(C)C
InChIInChI=1S/C14H21NO3/c1-5-17-14(16)12-11(6-8(2)3)15-13(18-12)10-7-9(10)4/h8-10H,5-7H2,1-4H3
InChIKeyMGTTWZNAFUKNLR-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.17
Rot. Bonds5

About ethyl 2-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate

ethyl 2-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate (PubChem CID 114372636) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
PubChem CID114372636
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C2CC2C)nc1CC(C)C
InChIInChI=1S/C14H21NO3/c1-5-17-14(16)12-11(6-8(2)3)15-13(18-12)10-7-9(10)4/h8-10H,5-7H2,1-4H3
InChIKeyMGTTWZNAFUKNLR-UHFFFAOYSA-N
XLogP3.17
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate (CID 114372636) is ethyl 2-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(C2CC2C)nc1CC(C)C.
What is the InChIKey of ethyl 2-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate?
The InChIKey is MGTTWZNAFUKNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-17-14(16)12-11(6-8(2)3)15-13(18-12)10-7-9(10)4/h8-10H,5-7H2,1-4H3.
What are the key properties of ethyl 2-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate?
ethyl 2-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114372636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).