4,5-dimethyl-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]-1,3-oxazole

C15H19N3O2 — CID 75384821

IUPAC4,5-dimethyl-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]-1,3-oxazole
SMILESCc1nc(CN2CCC(Oc3ccncc3)C2)oc1C
InChIInChI=1S/C15H19N3O2/c1-11-12(2)19-15(17-11)10-18-8-5-14(9-18)20-13-3-6-16-7-4-13/h3-4,6-7,14H,5,8-10H2,1-2H3
InChIKeyOOAJYJPTQYEIIJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.34
Rot. Bonds4

About 4,5-dimethyl-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]-1,3-oxazole

4,5-dimethyl-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]-1,3-oxazole (PubChem CID 75384821) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]-1,3-oxazole
PubChem CID75384821
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4,5-dimethyl-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]-1,3-oxazole
SMILESCc1nc(CN2CCC(Oc3ccncc3)C2)oc1C
InChIInChI=1S/C15H19N3O2/c1-11-12(2)19-15(17-11)10-18-8-5-14(9-18)20-13-3-6-16-7-4-13/h3-4,6-7,14H,5,8-10H2,1-2H3
InChIKeyOOAJYJPTQYEIIJ-UHFFFAOYSA-N
XLogP2.34
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 81493821
4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine
CID 97236462
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4,5-dimethyl-1,3-oxazole
CID 81490315
6-chloro-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 75384817
2-(3-pyridin-4-yloxypyrrolidin-1-yl)acetamide
CID 175996413
3-[5-[[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methyl]furan-2-yl]pyridine
CID 97160496
(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol
CID 107226246
[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961231
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114180494
4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
4-[(3S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-3-yl]oxypyridine
CID 97085016
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910249

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]-1,3-oxazole (CID 75384821) is 4,5-dimethyl-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]-1,3-oxazole is Cc1nc(CN2CCC(Oc3ccncc3)C2)oc1C.
What is the InChIKey of 4,5-dimethyl-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]-1,3-oxazole?
The InChIKey is OOAJYJPTQYEIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-12(2)19-15(17-11)10-18-8-5-14(9-18)20-13-3-6-16-7-4-13/h3-4,6-7,14H,5,8-10H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]-1,3-oxazole?
4,5-dimethyl-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]-1,3-oxazole has a molecular weight of 273.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 75384821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).