2-[2-[4-(1,3-oxazol-5-yl)anilino]-8-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol

C24H23N5O2 — CID 171378687

IUPAC2-[2-[4-(1,3-oxazol-5-yl)anilino]-8-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol
SMILESOCCN1Cc2cnc(Nc3ccc(-c4cnco4)cc3)nc2C(c2ccccc2)C1
InChIInChI=1S/C24H23N5O2/c30-11-10-29-14-19-12-26-24(28-23(19)21(15-29)17-4-2-1-3-5-17)27-20-8-6-18(7-9-20)22-13-25-16-31-22/h1-9,12-13,16,21,30H,10-11,14-15H2,(H,26,27,28)
InChIKeySCYXPYWACGMENT-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.82
Rot. Bonds6

About 2-[2-[4-(1,3-oxazol-5-yl)anilino]-8-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol

2-[2-[4-(1,3-oxazol-5-yl)anilino]-8-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol (PubChem CID 171378687) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-[2-[4-(1,3-oxazol-5-yl)anilino]-8-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol.

Molecular Properties

Compound Name2-[2-[4-(1,3-oxazol-5-yl)anilino]-8-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol
PubChem CID171378687
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name2-[2-[4-(1,3-oxazol-5-yl)anilino]-8-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol
SMILESOCCN1Cc2cnc(Nc3ccc(-c4cnco4)cc3)nc2C(c2ccccc2)C1
InChIInChI=1S/C24H23N5O2/c30-11-10-29-14-19-12-26-24(28-23(19)21(15-29)17-4-2-1-3-5-17)27-20-8-6-18(7-9-20)22-13-25-16-31-22/h1-9,12-13,16,21,30H,10-11,14-15H2,(H,26,27,28)
InChIKeySCYXPYWACGMENT-UHFFFAOYSA-N
XLogP3.82
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1,3-oxazol-5-yl)anilino]-8-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol?
The IUPAC name of 2-[2-[4-(1,3-oxazol-5-yl)anilino]-8-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol (CID 171378687) is 2-[2-[4-(1,3-oxazol-5-yl)anilino]-8-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol.
What is the SMILES notation for 2-[2-[4-(1,3-oxazol-5-yl)anilino]-8-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol?
The canonical SMILES for 2-[2-[4-(1,3-oxazol-5-yl)anilino]-8-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol is OCCN1Cc2cnc(Nc3ccc(-c4cnco4)cc3)nc2C(c2ccccc2)C1.
What is the InChIKey of 2-[2-[4-(1,3-oxazol-5-yl)anilino]-8-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol?
The InChIKey is SCYXPYWACGMENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c30-11-10-29-14-19-12-26-24(28-23(19)21(15-29)17-4-2-1-3-5-17)27-20-8-6-18(7-9-20)22-13-25-16-31-22/h1-9,12-13,16,21,30H,10-11,14-15H2,(H,26,27,28).
What are the key properties of 2-[2-[4-(1,3-oxazol-5-yl)anilino]-8-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol?
2-[2-[4-(1,3-oxazol-5-yl)anilino]-8-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol has a molecular weight of 413.48 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1,3-oxazol-5-yl)anilino]-8-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol is sourced from PubChem (CID 171378687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).