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

C16H19N5O2 — CID 56967657

IUPAC(4S)-4-[2-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOc1ccnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)n1
InChIInChI=1S/C16H19N5O2/c1-22-14-8-9-18-16(21-14)20-12-5-2-11(3-6-12)4-7-13-10-23-15(17)19-13/h2-3,5-6,8-9,13H,4,7,10H2,1H3,(H2,17,19)(H,18,20,21)/t13-/m0/s1
InChIKeyHPJMESFZRYLUAQ-ZDUSSCGKSA-N
MW313.36 g/mol
LogP1.87
Rot. Bonds6

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

(4S)-4-[2-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 56967657) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (4S)-4-[2-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[2-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID56967657
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name(4S)-4-[2-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOc1ccnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)n1
InChIInChI=1S/C16H19N5O2/c1-22-14-8-9-18-16(21-14)20-12-5-2-11(3-6-12)4-7-13-10-23-15(17)19-13/h2-3,5-6,8-9,13H,4,7,10H2,1H3,(H2,17,19)(H,18,20,21)/t13-/m0/s1
InChIKeyHPJMESFZRYLUAQ-ZDUSSCGKSA-N
XLogP1.87
TPSA94.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[2-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 56967657) is (4S)-4-[2-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[2-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[2-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine is COc1ccnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)n1.
What is the InChIKey of (4S)-4-[2-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is HPJMESFZRYLUAQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-22-14-8-9-18-16(21-14)20-12-5-2-11(3-6-12)4-7-13-10-23-15(17)19-13/h2-3,5-6,8-9,13H,4,7,10H2,1H3,(H2,17,19)(H,18,20,21)/t13-/m0/s1.
What are the key properties of (4S)-4-[2-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[2-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 313.36 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 56967657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).