8-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine

C17H19N5O2 — CID 128968332

IUPAC8-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine
SMILESCc1noc([C@@H]2CC[C@H](CNc3ncnc4c(C)cccc34)O2)n1
InChIInChI=1S/C17H19N5O2/c1-10-4-3-5-13-15(10)19-9-20-16(13)18-8-12-6-7-14(23-12)17-21-11(2)22-24-17/h3-5,9,12,14H,6-8H2,1-2H3,(H,18,19,20)/t12-,14+/m1/s1
InChIKeyYGSQLADSWUXYJU-OCCSQVGLSA-N
MW325.37 g/mol
LogP2.96
Rot. Bonds4

About 8-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine

8-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine (PubChem CID 128968332) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 8-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name8-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine
PubChem CID128968332
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name8-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine
SMILESCc1noc([C@@H]2CC[C@H](CNc3ncnc4c(C)cccc34)O2)n1
InChIInChI=1S/C17H19N5O2/c1-10-4-3-5-13-15(10)19-9-20-16(13)18-8-12-6-7-14(23-12)17-21-11(2)22-24-17/h3-5,9,12,14H,6-8H2,1-2H3,(H,18,19,20)/t12-,14+/m1/s1
InChIKeyYGSQLADSWUXYJU-OCCSQVGLSA-N
XLogP2.96
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine?
The IUPAC name of 8-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine (CID 128968332) is 8-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 8-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 8-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine is Cc1noc([C@@H]2CC[C@H](CNc3ncnc4c(C)cccc34)O2)n1.
What is the InChIKey of 8-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine?
The InChIKey is YGSQLADSWUXYJU-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10-4-3-5-13-15(10)19-9-20-16(13)18-8-12-6-7-14(23-12)17-21-11(2)22-24-17/h3-5,9,12,14H,6-8H2,1-2H3,(H,18,19,20)/t12-,14+/m1/s1.
What are the key properties of 8-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine?
8-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine has a molecular weight of 325.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 128968332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).