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

C17H20N4O2 — CID 56967603

IUPAC(4S)-4-[2-[4-[(5-methoxy-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOc1ccc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1
InChIInChI=1S/C17H20N4O2/c1-22-15-8-9-16(19-10-15)20-13-5-2-12(3-6-13)4-7-14-11-23-17(18)21-14/h2-3,5-6,8-10,14H,4,7,11H2,1H3,(H2,18,21)(H,19,20)/t14-/m0/s1
InChIKeyWHVSZEYDZMOBQD-AWEZNQCLSA-N
MW312.37 g/mol
LogP2.48
Rot. Bonds6

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

(4S)-4-[2-[4-[(5-methoxy-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 56967603) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (4S)-4-[2-[4-[(5-methoxy-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[2-[4-[(5-methoxy-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID56967603
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(4S)-4-[2-[4-[(5-methoxy-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOc1ccc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1
InChIInChI=1S/C17H20N4O2/c1-22-15-8-9-16(19-10-15)20-13-5-2-12(3-6-13)4-7-14-11-23-17(18)21-14/h2-3,5-6,8-10,14H,4,7,11H2,1H3,(H2,18,21)(H,19,20)/t14-/m0/s1
InChIKeyWHVSZEYDZMOBQD-AWEZNQCLSA-N
XLogP2.48
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-[4-[(5-methoxy-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[2-[4-[(5-methoxy-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 56967603) is (4S)-4-[2-[4-[(5-methoxy-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[2-[4-[(5-methoxy-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[2-[4-[(5-methoxy-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine is COc1ccc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1.
What is the InChIKey of (4S)-4-[2-[4-[(5-methoxy-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is WHVSZEYDZMOBQD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-22-15-8-9-16(19-10-15)20-13-5-2-12(3-6-13)4-7-14-11-23-17(18)21-14/h2-3,5-6,8-10,14H,4,7,11H2,1H3,(H2,18,21)(H,19,20)/t14-/m0/s1.
What are the key properties of (4S)-4-[2-[4-[(5-methoxy-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[2-[4-[(5-methoxy-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 312.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-[4-[(5-methoxy-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 56967603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).