5-(2-aminopropan-2-yl)-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine

C13H17FN4O — CID 137345569

IUPAC5-(2-aminopropan-2-yl)-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cc(CNc2nnc(C(C)(C)N)o2)ccc1F
InChIInChI=1S/C13H17FN4O/c1-8-6-9(4-5-10(8)14)7-16-12-18-17-11(19-12)13(2,3)15/h4-6H,7,15H2,1-3H3,(H,16,18)
InChIKeyCMVBFNHUOYVOEU-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.32
Rot. Bonds4

About 5-(2-aminopropan-2-yl)-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine

5-(2-aminopropan-2-yl)-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 137345569) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminopropan-2-yl)-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID137345569
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name5-(2-aminopropan-2-yl)-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cc(CNc2nnc(C(C)(C)N)o2)ccc1F
InChIInChI=1S/C13H17FN4O/c1-8-6-9(4-5-10(8)14)7-16-12-18-17-11(19-12)13(2,3)15/h4-6H,7,15H2,1-3H3,(H,16,18)
InChIKeyCMVBFNHUOYVOEU-UHFFFAOYSA-N
XLogP2.32
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2-aminopropan-2-yl)-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777296
N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine
CID 115630753
2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131868
5-(2-aminopropan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine;hydrochloride
CID 154918181
5-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103865662
2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 107643878
N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline
CID 55040391
2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline
CID 103585043
2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62121783
N-[(4-fluoro-3-methylphenyl)methyl]-2H-benzotriazol-5-amine
CID 71845501
5-(chloromethyl)-N-[(3,4-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106957049
4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminopropan-2-yl)-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 137345569) is 5-(2-aminopropan-2-yl)-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminopropan-2-yl)-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminopropan-2-yl)-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine is Cc1cc(CNc2nnc(C(C)(C)N)o2)ccc1F.
What is the InChIKey of 5-(2-aminopropan-2-yl)-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is CMVBFNHUOYVOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-8-6-9(4-5-10(8)14)7-16-12-18-17-11(19-12)13(2,3)15/h4-6H,7,15H2,1-3H3,(H,16,18).
What are the key properties of 5-(2-aminopropan-2-yl)-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
5-(2-aminopropan-2-yl)-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 264.30 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropan-2-yl)-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 137345569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).