ethyl 2-(cyclopropylmethyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate

C13H19NO3 — CID 114371430

IUPACethyl 2-(cyclopropylmethyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(CC2CC2)nc1C(C)C
InChIInChI=1S/C13H19NO3/c1-4-16-13(15)12-11(8(2)3)14-10(17-12)7-9-5-6-9/h8-9H,4-7H2,1-3H3
InChIKeyBMMYFYHEAWLZLD-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.93
Rot. Bonds5

About ethyl 2-(cyclopropylmethyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate

ethyl 2-(cyclopropylmethyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate (PubChem CID 114371430) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-(cyclopropylmethyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylmethyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate
PubChem CID114371430
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl 2-(cyclopropylmethyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(CC2CC2)nc1C(C)C
InChIInChI=1S/C13H19NO3/c1-4-16-13(15)12-11(8(2)3)14-10(17-12)7-9-5-6-9/h8-9H,4-7H2,1-3H3
InChIKeyBMMYFYHEAWLZLD-UHFFFAOYSA-N
XLogP2.93
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylmethyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(cyclopropylmethyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate (CID 114371430) is ethyl 2-(cyclopropylmethyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(cyclopropylmethyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(cyclopropylmethyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(CC2CC2)nc1C(C)C.
What is the InChIKey of ethyl 2-(cyclopropylmethyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate?
The InChIKey is BMMYFYHEAWLZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-16-13(15)12-11(8(2)3)14-10(17-12)7-9-5-6-9/h8-9H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(cyclopropylmethyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate?
ethyl 2-(cyclopropylmethyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylmethyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114371430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).