(4S)-4-[2-[4-[(6-methyl-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine

C17H20N4O — CID 56967654

IUPAC(4S)-4-[2-[4-[(6-methyl-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1cccc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)n1
InChIInChI=1S/C17H20N4O/c1-12-3-2-4-16(19-12)20-14-8-5-13(6-9-14)7-10-15-11-22-17(18)21-15/h2-6,8-9,15H,7,10-11H2,1H3,(H2,18,21)(H,19,20)/t15-/m0/s1
InChIKeyZITZDUCMNVRKGJ-HNNXBMFYSA-N
MW296.37 g/mol
LogP2.78
Rot. Bonds5

About (4S)-4-[2-[4-[(6-methyl-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-[2-[4-[(6-methyl-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 56967654) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (4S)-4-[2-[4-[(6-methyl-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[2-[4-[(6-methyl-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID56967654
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(4S)-4-[2-[4-[(6-methyl-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1cccc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)n1
InChIInChI=1S/C17H20N4O/c1-12-3-2-4-16(19-12)20-14-8-5-13(6-9-14)7-10-15-11-22-17(18)21-15/h2-6,8-9,15H,7,10-11H2,1H3,(H2,18,21)(H,19,20)/t15-/m0/s1
InChIKeyZITZDUCMNVRKGJ-HNNXBMFYSA-N
XLogP2.78
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-[4-[(6-methyl-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[2-[4-[(6-methyl-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 56967654) is (4S)-4-[2-[4-[(6-methyl-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[2-[4-[(6-methyl-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[2-[4-[(6-methyl-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine is Cc1cccc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)n1.
What is the InChIKey of (4S)-4-[2-[4-[(6-methyl-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is ZITZDUCMNVRKGJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-3-2-4-16(19-12)20-14-8-5-13(6-9-14)7-10-15-11-22-17(18)21-15/h2-6,8-9,15H,7,10-11H2,1H3,(H2,18,21)(H,19,20)/t15-/m0/s1.
What are the key properties of (4S)-4-[2-[4-[(6-methyl-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[2-[4-[(6-methyl-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 296.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-[4-[(6-methyl-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 56967654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).