(2R)-2-amino-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide

C12H13FN4O2 — CID 134139607

IUPAC(2R)-2-amino-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C12H13FN4O2/c1-7(14)11(18)15-6-10-16-17-12(19-10)8-2-4-9(13)5-3-8/h2-5,7H,6,14H2,1H3,(H,15,18)/t7-/m1/s1
InChIKeyZKQYZZDOECOPDO-SSDOTTSWSA-N
MW264.26 g/mol
LogP0.84
Rot. Bonds4

About (2R)-2-amino-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide

(2R)-2-amino-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide (PubChem CID 134139607) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is (2R)-2-amino-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
PubChem CID134139607
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name(2R)-2-amino-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C12H13FN4O2/c1-7(14)11(18)15-6-10-16-17-12(19-10)8-2-4-9(13)5-3-8/h2-5,7H,6,14H2,1H3,(H,15,18)/t7-/m1/s1
InChIKeyZKQYZZDOECOPDO-SSDOTTSWSA-N
XLogP0.84
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide (CID 134139607) is (2R)-2-amino-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide is C[C@@H](N)C(=O)NCc1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of (2R)-2-amino-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide?
The InChIKey is ZKQYZZDOECOPDO-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H13FN4O2/c1-7(14)11(18)15-6-10-16-17-12(19-10)8-2-4-9(13)5-3-8/h2-5,7H,6,14H2,1H3,(H,15,18)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide?
(2R)-2-amino-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide has a molecular weight of 264.26 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide is sourced from PubChem (CID 134139607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).