N-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

C19H27N3O3 — CID 86949292

IUPACN-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)CC(C)Oc1cc(CNC(=O)c2cc(C(C)C)no2)ccn1
InChIInChI=1S/C19H27N3O3/c1-12(2)8-14(5)24-18-9-15(6-7-20-18)11-21-19(23)17-10-16(13(3)4)22-25-17/h6-7,9-10,12-14H,8,11H2,1-5H3,(H,21,23)
InChIKeyXZEIDEPTEJJCDW-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.94
Rot. Bonds8

About N-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 86949292) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID86949292
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)CC(C)Oc1cc(CNC(=O)c2cc(C(C)C)no2)ccn1
InChIInChI=1S/C19H27N3O3/c1-12(2)8-14(5)24-18-9-15(6-7-20-18)11-21-19(23)17-10-16(13(3)4)22-25-17/h6-7,9-10,12-14H,8,11H2,1-5H3,(H,21,23)
InChIKeyXZEIDEPTEJJCDW-UHFFFAOYSA-N
XLogP3.94
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 86949292) is N-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is CC(C)CC(C)Oc1cc(CNC(=O)c2cc(C(C)C)no2)ccn1.
What is the InChIKey of N-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is XZEIDEPTEJJCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-12(2)8-14(5)24-18-9-15(6-7-20-18)11-21-19(23)17-10-16(13(3)4)22-25-17/h6-7,9-10,12-14H,8,11H2,1-5H3,(H,21,23).
What are the key properties of N-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 86949292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).