N-[(3,5-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine

C10H9F2N3O — CID 115924718

IUPACN-[(3,5-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCc2cc(F)cc(F)c2)o1
InChIInChI=1S/C10H9F2N3O/c1-6-14-15-10(16-6)13-5-7-2-8(11)4-9(12)3-7/h2-4H,5H2,1H3,(H,13,15)
InChIKeyGMSCWFMNZJNZFQ-UHFFFAOYSA-N
MW225.20 g/mol
LogP2.27
Rot. Bonds3

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

N-[(3,5-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 115924718) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
PubChem CID115924718
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC NameN-[(3,5-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCc2cc(F)cc(F)c2)o1
InChIInChI=1S/C10H9F2N3O/c1-6-14-15-10(16-6)13-5-7-2-8(11)4-9(12)3-7/h2-4H,5H2,1H3,(H,13,15)
InChIKeyGMSCWFMNZJNZFQ-UHFFFAOYSA-N
XLogP2.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 52.27
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
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
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-[(2-fluorophenyl)methyl]-5-(5-methyl-5,6-dihydroimidazo[5,1-b][1,3,4]thiadiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 121274938

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine (CID 115924718) is N-[(3,5-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine is Cc1nnc(NCc2cc(F)cc(F)c2)o1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is GMSCWFMNZJNZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c1-6-14-15-10(16-6)13-5-7-2-8(11)4-9(12)3-7/h2-4H,5H2,1H3,(H,13,15).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
N-[(3,5-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 225.20 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 115924718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).