methyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate

C9H15NO3 — CID 167362872

IUPACmethyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1(C)CC(C(C)C)=NO1
InChIInChI=1S/C9H15NO3/c1-6(2)7-5-9(3,13-10-7)8(11)12-4/h6H,5H2,1-4H3
InChIKeyDSDKIEPKUBTPSK-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.35
Rot. Bonds2

About methyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate

methyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate (PubChem CID 167362872) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
PubChem CID167362872
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1(C)CC(C(C)C)=NO1
InChIInChI=1S/C9H15NO3/c1-6(2)7-5-9(3,13-10-7)8(11)12-4/h6H,5H2,1-4H3
InChIKeyDSDKIEPKUBTPSK-UHFFFAOYSA-N
XLogP1.35
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate (CID 167362872) is methyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate is COC(=O)C1(C)CC(C(C)C)=NO1.
What is the InChIKey of methyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The InChIKey is DSDKIEPKUBTPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)7-5-9(3,13-10-7)8(11)12-4/h6H,5H2,1-4H3.
What are the key properties of methyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
methyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 167362872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).