methyl 6-(4-methylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

C18H18N2O3 — CID 9459641

IUPACmethyl 6-(4-methylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)cc2)nc2onc(C(C)C)c12
InChIInChI=1S/C18H18N2O3/c1-10(2)16-15-13(18(21)22-4)9-14(19-17(15)23-20-16)12-7-5-11(3)6-8-12/h5-10H,1-4H3
InChIKeyHSJUNKHKFQXGIO-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.11
Rot. Bonds3

About methyl 6-(4-methylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

methyl 6-(4-methylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 9459641) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl 6-(4-methylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-methylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID9459641
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namemethyl 6-(4-methylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)cc2)nc2onc(C(C)C)c12
InChIInChI=1S/C18H18N2O3/c1-10(2)16-15-13(18(21)22-4)9-14(19-17(15)23-20-16)12-7-5-11(3)6-8-12/h5-10H,1-4H3
InChIKeyHSJUNKHKFQXGIO-UHFFFAOYSA-N
XLogP4.11
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-methylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 6-(4-methylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 9459641) is methyl 6-(4-methylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 6-(4-methylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 6-(4-methylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is COC(=O)c1cc(-c2ccc(C)cc2)nc2onc(C(C)C)c12.
What is the InChIKey of methyl 6-(4-methylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is HSJUNKHKFQXGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-10(2)16-15-13(18(21)22-4)9-14(19-17(15)23-20-16)12-7-5-11(3)6-8-12/h5-10H,1-4H3.
What are the key properties of methyl 6-(4-methylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
methyl 6-(4-methylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-methylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 9459641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).