6,7-difluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine

C16H15F2N5O2 — CID 129004549

IUPAC6,7-difluoro-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](CNc3ncnc4cc(F)c(F)cc34)O2)n1
InChIInChI=1S/C16H15F2N5O2/c1-8-22-16(25-23-8)14-3-2-9(24-14)6-19-15-10-4-11(17)12(18)5-13(10)20-7-21-15/h4-5,7,9,14H,2-3,6H2,1H3,(H,19,20,21)/t9-,14+/m1/s1
InChIKeyINEZIHCWJKOBNP-OTYXRUKQSA-N
MW347.33 g/mol
LogP2.93
Rot. Bonds4

About 6,7-difluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine

6,7-difluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine (PubChem CID 129004549) has the molecular formula C16H15F2N5O2 and a molecular weight of 347.33 g/mol. Its IUPAC name is 6,7-difluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-difluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine
PubChem CID129004549
Molecular FormulaC16H15F2N5O2
Molecular Weight347.33 g/mol
Exact Mass347.12
IUPAC Name6,7-difluoro-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](CNc3ncnc4cc(F)c(F)cc34)O2)n1
InChIInChI=1S/C16H15F2N5O2/c1-8-22-16(25-23-8)14-3-2-9(24-14)6-19-15-10-4-11(17)12(18)5-13(10)20-7-21-15/h4-5,7,9,14H,2-3,6H2,1H3,(H,19,20,21)/t9-,14+/m1/s1
InChIKeyINEZIHCWJKOBNP-OTYXRUKQSA-N
XLogP2.93
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6,7-difluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S,3R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]-6-propan-2-ylquinazolin-4-amine
CID 138037433
N-[3-[[(6,7-difluoroquinazolin-4-yl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 60329423
7-fluoro-2-methyl-N-{2-[5-(tetrahydro-2-furanyl)-1,2,4-oxadiazol-3-yl]ethyl}-4-quinolinecarboxamide
CID 70739050
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-fluoroquinazolin-4-amine
CID 71995952
7-Fluoro-N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-YL]ethyl}quinazolin-4-amine
CID 72858569
5-Fluoro-N-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-YL]methyl}quinazolin-4-amine
CID 72865816
7-fluoro-2-methyl-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]quinoline-4-carboxamide
CID 96575579
7-fluoro-2-methyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]quinoline-4-carboxamide
CID 96575580
N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-fluoroquinazolin-4-amine
CID 97575960
N-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-fluoroquinazolin-4-amine
CID 97575961
N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 128965348
N-[(5-fluoroquinolin-8-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 128965852

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine?
The IUPAC name of 6,7-difluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine (CID 129004549) is 6,7-difluoro-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 6,7-difluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 6,7-difluoro-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](CNc3ncnc4cc(F)c(F)cc34)O2)n1.
What is the InChIKey of 6,7-difluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine?
The InChIKey is INEZIHCWJKOBNP-OTYXRUKQSA-N. The full InChI is InChI=1S/C16H15F2N5O2/c1-8-22-16(25-23-8)14-3-2-9(24-14)6-19-15-10-4-11(17)12(18)5-13(10)20-7-21-15/h4-5,7,9,14H,2-3,6H2,1H3,(H,19,20,21)/t9-,14+/m1/s1.
What are the key properties of 6,7-difluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine?
6,7-difluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine has a molecular weight of 347.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 129004549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).