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

C18H21N5O2 — CID 138037433

IUPACN-[(2S,3R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]-6-propan-2-ylquinazolin-4-amine
SMILESCc1noc([C@H]2OCC[C@H]2Nc2ncnc3ccc(C(C)C)cc23)n1
InChIInChI=1S/C18H21N5O2/c1-10(2)12-4-5-14-13(8-12)17(20-9-19-14)22-15-6-7-24-16(15)18-21-11(3)23-25-18/h4-5,8-10,15-16H,6-7H2,1-3H3,(H,19,20,22)/t15-,16+/m1/s1
InChIKeyAOMDDJXBEAIOGX-CVEARBPZSA-N
MW339.40 g/mol
LogP3.39
Rot. Bonds4

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

N-[(2S,3R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]-6-propan-2-ylquinazolin-4-amine (PubChem CID 138037433) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(2S,3R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]-6-propan-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(2S,3R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]-6-propan-2-ylquinazolin-4-amine
PubChem CID138037433
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[(2S,3R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]-6-propan-2-ylquinazolin-4-amine
SMILESCc1noc([C@H]2OCC[C@H]2Nc2ncnc3ccc(C(C)C)cc23)n1
InChIInChI=1S/C18H21N5O2/c1-10(2)12-4-5-14-13(8-12)17(20-9-19-14)22-15-6-7-24-16(15)18-21-11(3)23-25-18/h4-5,8-10,15-16H,6-7H2,1-3H3,(H,19,20,22)/t15-,16+/m1/s1
InChIKeyAOMDDJXBEAIOGX-CVEARBPZSA-N
XLogP3.39
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

US9592235, Example 195
CID 90054626
1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine
CID 129252307
US9592235, Example 214
CID 90054810
N~2~-[4-(1-pyrrolidinyl)-7-quinazolinyl]tetrahydro-2-furancarboxamide
CID 53137402
7-fluoro-2-methyl-N-{2-[5-(tetrahydro-2-furanyl)-1,2,4-oxadiazol-3-yl]ethyl}-4-quinolinecarboxamide
CID 70739050
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-[(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
6,7-difluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine
CID 129004549
6-Methyl-3-(5-methyl-1,2,4-oxadiazol-3-YL)-N-[(oxolan-2-YL)methyl]quinolin-2-amine
CID 50748624
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-quinolyl]-N-tetrahydro-2-furanylmethylamine
CID 50748658

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]-6-propan-2-ylquinazolin-4-amine?
The IUPAC name of N-[(2S,3R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]-6-propan-2-ylquinazolin-4-amine (CID 138037433) is N-[(2S,3R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]-6-propan-2-ylquinazolin-4-amine.
What is the SMILES notation for N-[(2S,3R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]-6-propan-2-ylquinazolin-4-amine?
The canonical SMILES for N-[(2S,3R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]-6-propan-2-ylquinazolin-4-amine is Cc1noc([C@H]2OCC[C@H]2Nc2ncnc3ccc(C(C)C)cc23)n1.
What is the InChIKey of N-[(2S,3R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]-6-propan-2-ylquinazolin-4-amine?
The InChIKey is AOMDDJXBEAIOGX-CVEARBPZSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-10(2)12-4-5-14-13(8-12)17(20-9-19-14)22-15-6-7-24-16(15)18-21-11(3)23-25-18/h4-5,8-10,15-16H,6-7H2,1-3H3,(H,19,20,22)/t15-,16+/m1/s1.
What are the key properties of N-[(2S,3R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]-6-propan-2-ylquinazolin-4-amine?
N-[(2S,3R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]-6-propan-2-ylquinazolin-4-amine has a molecular weight of 339.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-yl]-6-propan-2-ylquinazolin-4-amine is sourced from PubChem (CID 138037433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).