(4S)-4-methyl-2-[6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole

C13H15N3O2 — CID 24897122

IUPAC(4S)-4-methyl-2-[6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESC[C@H]1COC(c2cccc(C3=N[C@@H](C)CO3)n2)=N1
InChIInChI=1S/C13H15N3O2/c1-8-6-17-12(14-8)10-4-3-5-11(16-10)13-15-9(2)7-18-13/h3-5,8-9H,6-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyUHXIDHCQNRFIHV-IUCAKERBSA-N
MW245.28 g/mol
LogP1.41
Rot. Bonds2

About (4S)-4-methyl-2-[6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole

(4S)-4-methyl-2-[6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 24897122) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (4S)-4-methyl-2-[6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-methyl-2-[6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID24897122
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(4S)-4-methyl-2-[6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESC[C@H]1COC(c2cccc(C3=N[C@@H](C)CO3)n2)=N1
InChIInChI=1S/C13H15N3O2/c1-8-6-17-12(14-8)10-4-3-5-11(16-10)13-15-9(2)7-18-13/h3-5,8-9H,6-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyUHXIDHCQNRFIHV-IUCAKERBSA-N
XLogP1.41
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-2-[6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-methyl-2-[6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 24897122) is (4S)-4-methyl-2-[6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-methyl-2-[6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-methyl-2-[6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole is C[C@H]1COC(c2cccc(C3=N[C@@H](C)CO3)n2)=N1.
What is the InChIKey of (4S)-4-methyl-2-[6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is UHXIDHCQNRFIHV-IUCAKERBSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-6-17-12(14-8)10-4-3-5-11(16-10)13-15-9(2)7-18-13/h3-5,8-9H,6-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (4S)-4-methyl-2-[6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-methyl-2-[6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 245.28 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-2-[6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 24897122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).