N-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine

C12H14FN3O — CID 84596432

IUPACN-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCC(C)c1nnc(NCc2ccc(F)cc2)o1
InChIInChI=1S/C12H14FN3O/c1-8(2)11-15-16-12(17-11)14-7-9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyVCHGCWBPRZOCCH-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.94
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine

N-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 84596432) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID84596432
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC NameN-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCC(C)c1nnc(NCc2ccc(F)cc2)o1
InChIInChI=1S/C12H14FN3O/c1-8(2)11-15-16-12(17-11)14-7-9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyVCHGCWBPRZOCCH-UHFFFAOYSA-N
XLogP2.94
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 72893335
1-(3,4-difluorobenzyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-amine
CID 72908302
3-[[[5-(2,2-Dimethylpropyl)-1,3,4-oxadiazol-2-yl]amino]methyl]benzonitrile
CID 75445995
5-tert-butyl-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 75446178
N-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 84596433
N-[[4-(difluoromethylsulfanyl)phenyl]methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 84599321
N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 118740620
N-[(4-bromophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 118740621
N-[(4-chlorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 118740622
2-N-benzyl-1,3,4-oxadiazole-2,5-diamine
CID 69341134
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 97149374
(3S)-N-benzyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3-carboxamide
CID 164633054

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine (CID 84596432) is N-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine is CC(C)c1nnc(NCc2ccc(F)cc2)o1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is VCHGCWBPRZOCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8(2)11-15-16-12(17-11)14-7-9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
N-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 235.26 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 84596432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).