2-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole

C19H26N2O2 — CID 78428089

IUPAC2-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole
SMILESCCC1(CC)COC(c2cc(OCC3CC3)c(C3CC3)cn2)=N1
InChIInChI=1S/C19H26N2O2/c1-3-19(4-2)12-23-18(21-19)16-9-17(22-11-13-5-6-13)15(10-20-16)14-7-8-14/h9-10,13-14H,3-8,11-12H2,1-2H3
InChIKeyNMHFZCVAQZPHOP-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.08
Rot. Bonds7

About 2-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole

2-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole (PubChem CID 78428089) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole
PubChem CID78428089
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole
SMILESCCC1(CC)COC(c2cc(OCC3CC3)c(C3CC3)cn2)=N1
InChIInChI=1S/C19H26N2O2/c1-3-19(4-2)12-23-18(21-19)16-9-17(22-11-13-5-6-13)15(10-20-16)14-7-8-14/h9-10,13-14H,3-8,11-12H2,1-2H3
InChIKeyNMHFZCVAQZPHOP-UHFFFAOYSA-N
XLogP4.08
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole?
The IUPAC name of 2-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole (CID 78428089) is 2-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole is CCC1(CC)COC(c2cc(OCC3CC3)c(C3CC3)cn2)=N1.
What is the InChIKey of 2-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole?
The InChIKey is NMHFZCVAQZPHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-19(4-2)12-23-18(21-19)16-9-17(22-11-13-5-6-13)15(10-20-16)14-7-8-14/h9-10,13-14H,3-8,11-12H2,1-2H3.
What are the key properties of 2-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole?
2-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole has a molecular weight of 314.43 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-4-(cyclopropylmethoxy)-2-pyridinyl]-4,4-diethyl-5H-1,3-oxazole is sourced from PubChem (CID 78428089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).