[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine

C11H18FN3O — CID 122199403

IUPAC[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
SMILESCc1nc(CN2CC(F)CC2CN)oc1C
InChIInChI=1S/C11H18FN3O/c1-7-8(2)16-11(14-7)6-15-5-9(12)3-10(15)4-13/h9-10H,3-6,13H2,1-2H3
InChIKeyINJDHGSMDBFRCO-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.16
Rot. Bonds3

About [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine

[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine (PubChem CID 122199403) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
PubChem CID122199403
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
SMILESCc1nc(CN2CC(F)CC2CN)oc1C
InChIInChI=1S/C11H18FN3O/c1-7-8(2)16-11(14-7)6-15-5-9(12)3-10(15)4-13/h9-10H,3-6,13H2,1-2H3
InChIKeyINJDHGSMDBFRCO-UHFFFAOYSA-N
XLogP1.16
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,5-Dimethyl-1,3-Oxazol-2-Yl)Methanamine
CID 28293489
(1-((Dimethyl-1,3-oxazol-2-yl)methyl)piperidin-4-yl)methanamine
CID 52203126
1-[(Dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane
CID 53532524
4,5-Dimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole
CID 86769321
(3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 99632811
(3S)-1-cyclohexyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyrrolidin-3-amine
CID 164639573
(3S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120950962
N-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
CID 121293284
2-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine
CID 170133718
2-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylpropan-2-amine
CID 170144644
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 60972922
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63226435

Frequently Asked Questions

What is the IUPAC name of [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine (CID 122199403) is [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine is Cc1nc(CN2CC(F)CC2CN)oc1C.
What is the InChIKey of [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine?
The InChIKey is INJDHGSMDBFRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-7-8(2)16-11(14-7)6-15-5-9(12)3-10(15)4-13/h9-10H,3-6,13H2,1-2H3.
What are the key properties of [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine?
[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine has a molecular weight of 227.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine is sourced from PubChem (CID 122199403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).