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

C17H17F2N5O2 — CID 129326566

IUPAC6,7-difluoro-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine
SMILESCc1noc([C@H](Nc2ncnc3cc(F)c(F)cc23)C2CCOCC2)n1
InChIInChI=1S/C17H17F2N5O2/c1-9-22-17(26-24-9)15(10-2-4-25-5-3-10)23-16-11-6-12(18)13(19)7-14(11)20-8-21-16/h6-8,10,15H,2-5H2,1H3,(H,20,21,23)/t15-/m1/s1
InChIKeyLHRYKCWBTABAGS-OAHLLOKOSA-N
MW361.35 g/mol
LogP3.18
Rot. Bonds4

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

6,7-difluoro-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine (PubChem CID 129326566) has the molecular formula C17H17F2N5O2 and a molecular weight of 361.35 g/mol. Its IUPAC name is 6,7-difluoro-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-difluoro-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine
PubChem CID129326566
Molecular FormulaC17H17F2N5O2
Molecular Weight361.35 g/mol
Exact Mass361.14
IUPAC Name6,7-difluoro-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine
SMILESCc1noc([C@H](Nc2ncnc3cc(F)c(F)cc23)C2CCOCC2)n1
InChIInChI=1S/C17H17F2N5O2/c1-9-22-17(26-24-9)15(10-2-4-25-5-3-10)23-16-11-6-12(18)13(19)7-14(11)20-8-21-16/h6-8,10,15H,2-5H2,1H3,(H,20,21,23)/t15-/m1/s1
InChIKeyLHRYKCWBTABAGS-OAHLLOKOSA-N
XLogP3.18
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

6,7-difluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-amine
CID 129327296
6,7-difluoro-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-amine
CID 129327295
7-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine
CID 128972809
5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-benzoxazol-2-amine
CID 128992692
N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine
CID 128976686
2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide
CID 129327822
5-bromo-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 129472627
3-tert-butyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 129001161
4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 128987864
2-methyl-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-imidazole-5-carboxamide
CID 129326419
5-fluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine
CID 129471942
N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-phenylpiperidin-4-amine
CID 128982422

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6,7-difluoro-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine (CID 129326566) is 6,7-difluoro-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-difluoro-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6,7-difluoro-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine is Cc1noc([C@H](Nc2ncnc3cc(F)c(F)cc23)C2CCOCC2)n1.
What is the InChIKey of 6,7-difluoro-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine?
The InChIKey is LHRYKCWBTABAGS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17F2N5O2/c1-9-22-17(26-24-9)15(10-2-4-25-5-3-10)23-16-11-6-12(18)13(19)7-14(11)20-8-21-16/h6-8,10,15H,2-5H2,1H3,(H,20,21,23)/t15-/m1/s1.
What are the key properties of 6,7-difluoro-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine?
6,7-difluoro-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine has a molecular weight of 361.35 g/mol, XLogP of 3.18, 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-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 129326566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).