3,5-dimethyl-4-[6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridinyl]-1,2-oxazole

C19H25N3O2 — CID 125020312

IUPAC3,5-dimethyl-4-[6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridinyl]-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc([C@@H]2CCCN2C2CCOCC2)nc1
InChIInChI=1S/C19H25N3O2/c1-13-19(14(2)24-21-13)15-5-6-17(20-12-15)18-4-3-9-22(18)16-7-10-23-11-8-16/h5-6,12,16,18H,3-4,7-11H2,1-2H3/t18-/m0/s1
InChIKeyYBVZQGPHXVFTAO-SFHVURJKSA-N
MW327.43 g/mol
LogP3.67
Rot. Bonds3

About 3,5-dimethyl-4-[6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridinyl]-1,2-oxazole

3,5-dimethyl-4-[6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridinyl]-1,2-oxazole (PubChem CID 125020312) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3,5-dimethyl-4-[6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridinyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridinyl]-1,2-oxazole
PubChem CID125020312
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3,5-dimethyl-4-[6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridinyl]-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc([C@@H]2CCCN2C2CCOCC2)nc1
InChIInChI=1S/C19H25N3O2/c1-13-19(14(2)24-21-13)15-5-6-17(20-12-15)18-4-3-9-22(18)16-7-10-23-11-8-16/h5-6,12,16,18H,3-4,7-11H2,1-2H3/t18-/m0/s1
InChIKeyYBVZQGPHXVFTAO-SFHVURJKSA-N
XLogP3.67
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridinyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridinyl]-1,2-oxazole (CID 125020312) is 3,5-dimethyl-4-[6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridinyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridinyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridinyl]-1,2-oxazole is Cc1noc(C)c1-c1ccc([C@@H]2CCCN2C2CCOCC2)nc1.
What is the InChIKey of 3,5-dimethyl-4-[6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridinyl]-1,2-oxazole?
The InChIKey is YBVZQGPHXVFTAO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-19(14(2)24-21-13)15-5-6-17(20-12-15)18-4-3-9-22(18)16-7-10-23-11-8-16/h5-6,12,16,18H,3-4,7-11H2,1-2H3/t18-/m0/s1.
What are the key properties of 3,5-dimethyl-4-[6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridinyl]-1,2-oxazole?
3,5-dimethyl-4-[6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridinyl]-1,2-oxazole has a molecular weight of 327.43 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridinyl]-1,2-oxazole is sourced from PubChem (CID 125020312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).