methyl 2-[3-[4-(2-methoxypyrimidin-5-yl)piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoate

C19H26N4O4 — CID 163374343

IUPACmethyl 2-[3-[4-(2-methoxypyrimidin-5-yl)piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoate
SMILESCOC(=O)C(c1cc(N2CCC(c3cnc(OC)nc3)CC2)no1)C(C)C
InChIInChI=1S/C19H26N4O4/c1-12(2)17(18(24)25-3)15-9-16(22-27-15)23-7-5-13(6-8-23)14-10-20-19(26-4)21-11-14/h9-13,17H,5-8H2,1-4H3
InChIKeyACODRVPJUDCNEC-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.77
Rot. Bonds6

About methyl 2-[3-[4-(2-methoxypyrimidin-5-yl)piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoate

methyl 2-[3-[4-(2-methoxypyrimidin-5-yl)piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoate (PubChem CID 163374343) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is methyl 2-[3-[4-(2-methoxypyrimidin-5-yl)piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[3-[4-(2-methoxypyrimidin-5-yl)piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoate
PubChem CID163374343
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Namemethyl 2-[3-[4-(2-methoxypyrimidin-5-yl)piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoate
SMILESCOC(=O)C(c1cc(N2CCC(c3cnc(OC)nc3)CC2)no1)C(C)C
InChIInChI=1S/C19H26N4O4/c1-12(2)17(18(24)25-3)15-9-16(22-27-15)23-7-5-13(6-8-23)14-10-20-19(26-4)21-11-14/h9-13,17H,5-8H2,1-4H3
InChIKeyACODRVPJUDCNEC-UHFFFAOYSA-N
XLogP2.77
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[4-(2-methoxypyrimidin-5-yl)piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoate?
The IUPAC name of methyl 2-[3-[4-(2-methoxypyrimidin-5-yl)piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoate (CID 163374343) is methyl 2-[3-[4-(2-methoxypyrimidin-5-yl)piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[3-[4-(2-methoxypyrimidin-5-yl)piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoate?
The canonical SMILES for methyl 2-[3-[4-(2-methoxypyrimidin-5-yl)piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoate is COC(=O)C(c1cc(N2CCC(c3cnc(OC)nc3)CC2)no1)C(C)C.
What is the InChIKey of methyl 2-[3-[4-(2-methoxypyrimidin-5-yl)piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoate?
The InChIKey is ACODRVPJUDCNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-12(2)17(18(24)25-3)15-9-16(22-27-15)23-7-5-13(6-8-23)14-10-20-19(26-4)21-11-14/h9-13,17H,5-8H2,1-4H3.
What are the key properties of methyl 2-[3-[4-(2-methoxypyrimidin-5-yl)piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoate?
methyl 2-[3-[4-(2-methoxypyrimidin-5-yl)piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoate has a molecular weight of 374.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[4-(2-methoxypyrimidin-5-yl)piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoate is sourced from PubChem (CID 163374343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).