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

C19H21F2N5O2 — CID 129327296

IUPAC6,7-difluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-amine
SMILESCC(C)c1noc([C@H](Nc2ncnc3cc(F)c(F)cc23)C2CCOCC2)n1
InChIInChI=1S/C19H21F2N5O2/c1-10(2)17-25-19(28-26-17)16(11-3-5-27-6-4-11)24-18-12-7-13(20)14(21)8-15(12)22-9-23-18/h7-11,16H,3-6H2,1-2H3,(H,22,23,24)/t16-/m1/s1
InChIKeyRVPZQRHPKVJLMH-MRXNPFEDSA-N
MW389.41 g/mol
LogP3.99
Rot. Bonds5

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

6,7-difluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-amine (PubChem CID 129327296) has the molecular formula C19H21F2N5O2 and a molecular weight of 389.41 g/mol. Its IUPAC name is 6,7-difluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-difluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-amine
PubChem CID129327296
Molecular FormulaC19H21F2N5O2
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC Name6,7-difluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-amine
SMILESCC(C)c1noc([C@H](Nc2ncnc3cc(F)c(F)cc23)C2CCOCC2)n1
InChIInChI=1S/C19H21F2N5O2/c1-10(2)17-25-19(28-26-17)16(11-3-5-27-6-4-11)24-18-12-7-13(20)14(21)8-15(12)22-9-23-18/h7-11,16H,3-6H2,1-2H3,(H,22,23,24)/t16-/m1/s1
InChIKeyRVPZQRHPKVJLMH-MRXNPFEDSA-N
XLogP3.99
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6,7-difluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-amine (CID 129327296) is 6,7-difluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-difluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6,7-difluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-amine is CC(C)c1noc([C@H](Nc2ncnc3cc(F)c(F)cc23)C2CCOCC2)n1.
What is the InChIKey of 6,7-difluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-amine?
The InChIKey is RVPZQRHPKVJLMH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21F2N5O2/c1-10(2)17-25-19(28-26-17)16(11-3-5-27-6-4-11)24-18-12-7-13(20)14(21)8-15(12)22-9-23-18/h7-11,16H,3-6H2,1-2H3,(H,22,23,24)/t16-/m1/s1.
What are the key properties of 6,7-difluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-amine?
6,7-difluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-amine has a molecular weight of 389.41 g/mol, XLogP of 3.99, 5 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)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 129327296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).