N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(trifluoromethyl)quinazolin-4-amine

C16H14F3N5O — CID 154841732

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(trifluoromethyl)quinazolin-4-amine
SMILESCN(Cc1noc(C2CC2)n1)c1nc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C16H14F3N5O/c1-24(8-12-21-14(25-23-12)9-6-7-9)13-10-4-2-3-5-11(10)20-15(22-13)16(17,18)19/h2-5,9H,6-8H2,1H3
InChIKeyAJPLJYZIFNKGIE-UHFFFAOYSA-N
MW349.32 g/mol
LogP3.55
Rot. Bonds4

About N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(trifluoromethyl)quinazolin-4-amine

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 154841732) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID154841732
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(trifluoromethyl)quinazolin-4-amine
SMILESCN(Cc1noc(C2CC2)n1)c1nc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C16H14F3N5O/c1-24(8-12-21-14(25-23-12)9-6-7-9)13-10-4-2-3-5-11(10)20-15(22-13)16(17,18)19/h2-5,9H,6-8H2,1H3
InChIKeyAJPLJYZIFNKGIE-UHFFFAOYSA-N
XLogP3.55
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(trifluoromethyl)quinazolin-4-amine with MolForge

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Related Compounds

(2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 129379528
4-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine
CID 72891962
2-(2-aminoethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylquinazolin-4-amine;dihydrochloride
CID 154888430
(3S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 97318188
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
CID 91834513
2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 50956884
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61495330
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one
CID 60564006
(3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine
CID 97061477
2-[carboxymethyl-[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic acid
CID 21003236
N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687751
N-methyl-N-(4-morpholin-4-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 172907377

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(trifluoromethyl)quinazolin-4-amine (CID 154841732) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(trifluoromethyl)quinazolin-4-amine is CN(Cc1noc(C2CC2)n1)c1nc(C(F)(F)F)nc2ccccc12.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is AJPLJYZIFNKGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O/c1-24(8-12-21-14(25-23-12)9-6-7-9)13-10-4-2-3-5-11(10)20-15(22-13)16(17,18)19/h2-5,9H,6-8H2,1H3.
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(trifluoromethyl)quinazolin-4-amine?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 349.32 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 154841732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).