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

C14H19FN4O — CID 106960164

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)NCc1nnc(N(C)Cc2ccc(F)cc2)o1
InChIInChI=1S/C14H19FN4O/c1-10(2)16-8-13-17-18-14(20-13)19(3)9-11-4-6-12(15)7-5-11/h4-7,10,16H,8-9H2,1-3H3
InChIKeyAWBATNPDOXBHNW-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.34
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106960164) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106960164
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)NCc1nnc(N(C)Cc2ccc(F)cc2)o1
InChIInChI=1S/C14H19FN4O/c1-10(2)16-8-13-17-18-14(20-13)19(3)9-11-4-6-12(15)7-5-11/h4-7,10,16H,8-9H2,1-3H3
InChIKeyAWBATNPDOXBHNW-UHFFFAOYSA-N
XLogP2.34
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106960164) is N-[(4-fluorophenyl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine is CC(C)NCc1nnc(N(C)Cc2ccc(F)cc2)o1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is AWBATNPDOXBHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-10(2)16-8-13-17-18-14(20-13)19(3)9-11-4-6-12(15)7-5-11/h4-7,10,16H,8-9H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-[(4-fluorophenyl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 278.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).