N,N-dimethyl-5-[[(8-methylquinazolin-4-yl)amino]methyl]-1,2,4-oxadiazol-3-amine

C14H16N6O — CID 133487722

IUPACN,N-dimethyl-5-[[(8-methylquinazolin-4-yl)amino]methyl]-1,2,4-oxadiazol-3-amine
SMILESCc1cccc2c(NCc3nc(N(C)C)no3)ncnc12
InChIInChI=1S/C14H16N6O/c1-9-5-4-6-10-12(9)16-8-17-13(10)15-7-11-18-14(19-21-11)20(2)3/h4-6,8H,7H2,1-3H3,(H,15,16,17)
InChIKeyQMLMXOWTXKUZCT-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.00
Rot. Bonds4

About N,N-dimethyl-5-[[(8-methylquinazolin-4-yl)amino]methyl]-1,2,4-oxadiazol-3-amine

N,N-dimethyl-5-[[(8-methylquinazolin-4-yl)amino]methyl]-1,2,4-oxadiazol-3-amine (PubChem CID 133487722) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is N,N-dimethyl-5-[[(8-methylquinazolin-4-yl)amino]methyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[(8-methylquinazolin-4-yl)amino]methyl]-1,2,4-oxadiazol-3-amine
PubChem CID133487722
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC NameN,N-dimethyl-5-[[(8-methylquinazolin-4-yl)amino]methyl]-1,2,4-oxadiazol-3-amine
SMILESCc1cccc2c(NCc3nc(N(C)C)no3)ncnc12
InChIInChI=1S/C14H16N6O/c1-9-5-4-6-10-12(9)16-8-17-13(10)15-7-11-18-14(19-21-11)20(2)3/h4-6,8H,7H2,1-3H3,(H,15,16,17)
InChIKeyQMLMXOWTXKUZCT-UHFFFAOYSA-N
XLogP2.00
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133487679
5-[[(6-bromoquinazolin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 86816263
5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133487663
8-methyl-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)quinazolin-4-amine
CID 133440108
5-[(tert-butylamino)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115741669
8-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine
CID 128968332
5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133487649
5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133487692
N,N-dimethyl-5-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazol-3-amine
CID 133487716
N-methyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133387693
methyl 2-cyclopropyl-6-[[(8-methylquinazolin-4-yl)amino]methyl]pyridine-3-carboxylate
CID 133460115
5-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 139617834

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[(8-methylquinazolin-4-yl)amino]methyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of N,N-dimethyl-5-[[(8-methylquinazolin-4-yl)amino]methyl]-1,2,4-oxadiazol-3-amine (CID 133487722) is N,N-dimethyl-5-[[(8-methylquinazolin-4-yl)amino]methyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-[[(8-methylquinazolin-4-yl)amino]methyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-[[(8-methylquinazolin-4-yl)amino]methyl]-1,2,4-oxadiazol-3-amine is Cc1cccc2c(NCc3nc(N(C)C)no3)ncnc12.
What is the InChIKey of N,N-dimethyl-5-[[(8-methylquinazolin-4-yl)amino]methyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is QMLMXOWTXKUZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-9-5-4-6-10-12(9)16-8-17-13(10)15-7-11-18-14(19-21-11)20(2)3/h4-6,8H,7H2,1-3H3,(H,15,16,17).
What are the key properties of N,N-dimethyl-5-[[(8-methylquinazolin-4-yl)amino]methyl]-1,2,4-oxadiazol-3-amine?
N,N-dimethyl-5-[[(8-methylquinazolin-4-yl)amino]methyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 284.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[(8-methylquinazolin-4-yl)amino]methyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133487722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).