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

C13H16FN3O — CID 75498255

IUPACN-[(2-fluoro-5-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(F)c(CNc2nnc(C(C)C)o2)c1
InChIInChI=1S/C13H16FN3O/c1-8(2)12-16-17-13(18-12)15-7-10-6-9(3)4-5-11(10)14/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyVTWXSKKKCGEQNI-UHFFFAOYSA-N
MW249.29 g/mol
LogP3.25
Rot. Bonds4

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

N-[(2-fluoro-5-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 75498255) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID75498255
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC NameN-[(2-fluoro-5-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(F)c(CNc2nnc(C(C)C)o2)c1
InChIInChI=1S/C13H16FN3O/c1-8(2)12-16-17-13(18-12)15-7-10-6-9(3)4-5-11(10)14/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyVTWXSKKKCGEQNI-UHFFFAOYSA-N
XLogP3.25
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 53.25
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
5-(ethoxymethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 84596958
N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 118740620
5-(difluoromethyl)-N-[(5S)-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-yl]-1,3,4-oxadiazol-2-amine
CID 164640894
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 141195043
2,4-Difluoro-4-[5-[(3-fluorophenyl)methylamino]-1,3,4-oxadiazol-2-yl]cyclohexa-1,5-dien-1-ol
CID 152259632
5-(difluoromethyl)-N-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
CID 171803378
(E)-N-hydroxy-3-[3-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]phenyl]prop-2-enamide
CID 139377876

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine (CID 75498255) is N-[(2-fluoro-5-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine is Cc1ccc(F)c(CNc2nnc(C(C)C)o2)c1.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is VTWXSKKKCGEQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-8(2)12-16-17-13(18-12)15-7-10-6-9(3)4-5-11(10)14/h4-6,8H,7H2,1-3H3,(H,15,17).
What are the key properties of N-[(2-fluoro-5-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
N-[(2-fluoro-5-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 249.29 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75498255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).