(4S)-4-[2-(2-methyl-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine

C11H15N3O — CID 59323833

IUPAC(4S)-4-[2-(2-methyl-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1cc(CC[C@H]2COC(N)=N2)ccn1
InChIInChI=1S/C11H15N3O/c1-8-6-9(4-5-13-8)2-3-10-7-15-11(12)14-10/h4-6,10H,2-3,7H2,1H3,(H2,12,14)/t10-/m0/s1
InChIKeyJRKDTZUOCUDQAN-JTQLQIEISA-N
MW205.26 g/mol
LogP1.04
Rot. Bonds3

About (4S)-4-[2-(2-methyl-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-[2-(2-methyl-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323833) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (4S)-4-[2-(2-methyl-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[2-(2-methyl-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323833
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(4S)-4-[2-(2-methyl-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1cc(CC[C@H]2COC(N)=N2)ccn1
InChIInChI=1S/C11H15N3O/c1-8-6-9(4-5-13-8)2-3-10-7-15-11(12)14-10/h4-6,10H,2-3,7H2,1H3,(H2,12,14)/t10-/m0/s1
InChIKeyJRKDTZUOCUDQAN-JTQLQIEISA-N
XLogP1.04
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-(2-methyl-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[2-(2-methyl-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 59323833) is (4S)-4-[2-(2-methyl-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[2-(2-methyl-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[2-(2-methyl-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is Cc1cc(CC[C@H]2COC(N)=N2)ccn1.
What is the InChIKey of (4S)-4-[2-(2-methyl-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is JRKDTZUOCUDQAN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-6-9(4-5-13-8)2-3-10-7-15-11(12)14-10/h4-6,10H,2-3,7H2,1H3,(H2,12,14)/t10-/m0/s1.
What are the key properties of (4S)-4-[2-(2-methyl-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[2-(2-methyl-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 205.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-(2-methyl-4-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).