1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine

C14H20FN5O2 — CID 128990810

IUPAC1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cnc(CN(C)C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)o1
InChIInChI=1S/C14H20FN5O2/c1-9-5-16-13(21-9)8-19(3)7-12-4-11(15)6-20(12)14-18-17-10(2)22-14/h5,11-12H,4,6-8H2,1-3H3/t11-,12-/m0/s1
InChIKeyVBXCRZQRXGEHEV-RYUDHWBXSA-N
MW309.35 g/mol
LogP1.72
Rot. Bonds5

About 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine

1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 128990810) has the molecular formula C14H20FN5O2 and a molecular weight of 309.35 g/mol. Its IUPAC name is 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID128990810
Molecular FormulaC14H20FN5O2
Molecular Weight309.35 g/mol
Exact Mass309.16
IUPAC Name1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cnc(CN(C)C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)o1
InChIInChI=1S/C14H20FN5O2/c1-9-5-16-13(21-9)8-19(3)7-12-4-11(15)6-20(12)14-18-17-10(2)22-14/h5,11-12H,4,6-8H2,1-3H3/t11-,12-/m0/s1
InChIKeyVBXCRZQRXGEHEV-RYUDHWBXSA-N
XLogP1.72
TPSA71.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (CID 128990810) is 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is Cc1cnc(CN(C)C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)o1.
What is the InChIKey of 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is VBXCRZQRXGEHEV-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H20FN5O2/c1-9-5-16-13(21-9)8-19(3)7-12-4-11(15)6-20(12)14-18-17-10(2)22-14/h5,11-12H,4,6-8H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 309.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 128990810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).