2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-5-methyl-1,3-oxazole

C10H15FN2O — CID 151183020

IUPAC2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(CCN2CC[C@@H](F)C2)o1
InChIInChI=1S/C10H15FN2O/c1-8-6-12-10(14-8)3-5-13-4-2-9(11)7-13/h6,9H,2-5,7H2,1H3/t9-/m1/s1
InChIKeyNERXSXPKYICZOK-SECBINFHSA-N
MW198.24 g/mol
LogP1.57
Rot. Bonds3

About 2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-5-methyl-1,3-oxazole

2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-5-methyl-1,3-oxazole (PubChem CID 151183020) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-5-methyl-1,3-oxazole
PubChem CID151183020
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(CCN2CC[C@@H](F)C2)o1
InChIInChI=1S/C10H15FN2O/c1-8-6-12-10(14-8)3-5-13-4-2-9(11)7-13/h6,9H,2-5,7H2,1H3/t9-/m1/s1
InChIKeyNERXSXPKYICZOK-SECBINFHSA-N
XLogP1.57
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-oxazole
CID 148627248
N-methyl-1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
CID 119921868
(3S)-1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 97073405
2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376781
(3S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 97008296
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine
CID 134444038
N,6-dimethyl-N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889450
2-(cyclobutylmethyl)-5-methyl-1,3-oxazole
CID 119055129
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide
CID 97073446
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide
CID 71928350
1-[2-[(3S)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile
CID 97008199
1-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclopropan-1-amine
CID 105433076

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-5-methyl-1,3-oxazole (CID 151183020) is 2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-5-methyl-1,3-oxazole is Cc1cnc(CCN2CC[C@@H](F)C2)o1.
What is the InChIKey of 2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-5-methyl-1,3-oxazole?
The InChIKey is NERXSXPKYICZOK-SECBINFHSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-8-6-12-10(14-8)3-5-13-4-2-9(11)7-13/h6,9H,2-5,7H2,1H3/t9-/m1/s1.
What are the key properties of 2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-5-methyl-1,3-oxazole?
2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-5-methyl-1,3-oxazole has a molecular weight of 198.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 151183020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).