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

C17H25FN4O2 — CID 128994676

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCc1cc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2nc(C)c(C)o2)on1
InChIInChI=1S/C17H25FN4O2/c1-11-5-16(24-20-11)9-22-7-14(18)6-15(22)8-21(4)10-17-19-12(2)13(3)23-17/h5,14-15H,6-10H2,1-4H3/t14-,15-/m0/s1
InChIKeyOMAPLJRUGVAGTF-GJZGRUSLSA-N
MW336.41 g/mol
LogP2.63
Rot. Bonds6

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 128994676) has the molecular formula C17H25FN4O2 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID128994676
Molecular FormulaC17H25FN4O2
Molecular Weight336.41 g/mol
Exact Mass336.20
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCc1cc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2nc(C)c(C)o2)on1
InChIInChI=1S/C17H25FN4O2/c1-11-5-16(24-20-11)9-22-7-14(18)6-15(22)8-21(4)10-17-19-12(2)13(3)23-17/h5,14-15H,6-10H2,1-4H3/t14-,15-/m0/s1
InChIKeyOMAPLJRUGVAGTF-GJZGRUSLSA-N
XLogP2.63
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine (CID 128994676) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine is Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2nc(C)c(C)o2)on1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is OMAPLJRUGVAGTF-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H25FN4O2/c1-11-5-16(24-20-11)9-22-7-14(18)6-15(22)8-21(4)10-17-19-12(2)13(3)23-17/h5,14-15H,6-10H2,1-4H3/t14-,15-/m0/s1.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 336.41 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 128994676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).