(4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole

C11H14N2O — CID 10987065

IUPAC(4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(c2ccccn2)=N1
InChIInChI=1S/C11H14N2O/c1-8(2)10-7-14-11(13-10)9-5-3-4-6-12-9/h3-6,8,10H,7H2,1-2H3/t10-/m1/s1
InChIKeyOAQJLSASJWIYMU-SNVBAGLBSA-N
MW190.25 g/mol
LogP1.88
Rot. Bonds2

About (4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole

(4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 10987065) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID10987065
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(c2ccccn2)=N1
InChIInChI=1S/C11H14N2O/c1-8(2)10-7-14-11(13-10)9-5-3-4-6-12-9/h3-6,8,10H,7H2,1-2H3/t10-/m1/s1
InChIKeyOAQJLSASJWIYMU-SNVBAGLBSA-N
XLogP1.88
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole (CID 10987065) is (4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(c2ccccn2)=N1.
What is the InChIKey of (4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is OAQJLSASJWIYMU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8(2)10-7-14-11(13-10)9-5-3-4-6-12-9/h3-6,8,10H,7H2,1-2H3/t10-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 190.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10987065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).