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

C15H27NO3 — CID 167362854

IUPACethyl 5-(4-methylpentyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(CCCC(C)C)CC(C(C)C)=NO1
InChIInChI=1S/C15H27NO3/c1-6-18-14(17)15(9-7-8-11(2)3)10-13(12(4)5)16-19-15/h11-12H,6-10H2,1-5H3
InChIKeyPMFGWTOHUQKWQH-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.55
Rot. Bonds7

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

ethyl 5-(4-methylpentyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate (PubChem CID 167362854) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is ethyl 5-(4-methylpentyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-methylpentyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
PubChem CID167362854
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nameethyl 5-(4-methylpentyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(CCCC(C)C)CC(C(C)C)=NO1
InChIInChI=1S/C15H27NO3/c1-6-18-14(17)15(9-7-8-11(2)3)10-13(12(4)5)16-19-15/h11-12H,6-10H2,1-5H3
InChIKeyPMFGWTOHUQKWQH-UHFFFAOYSA-N
XLogP3.55
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methylpentyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 5-(4-methylpentyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate (CID 167362854) is ethyl 5-(4-methylpentyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 5-(4-methylpentyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 5-(4-methylpentyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate is CCOC(=O)C1(CCCC(C)C)CC(C(C)C)=NO1.
What is the InChIKey of ethyl 5-(4-methylpentyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The InChIKey is PMFGWTOHUQKWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-6-18-14(17)15(9-7-8-11(2)3)10-13(12(4)5)16-19-15/h11-12H,6-10H2,1-5H3.
What are the key properties of ethyl 5-(4-methylpentyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
ethyl 5-(4-methylpentyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methylpentyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 167362854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).