(5-chloro-2-fluorophenyl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

C17H18ClFN2O3 — CID 134697919

IUPAC(5-chloro-2-fluorophenyl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCO[C@H]1CN(C(=O)c2cc(Cl)ccc2F)C[C@H]1Cc1cc(C)no1
InChIInChI=1S/C17H18ClFN2O3/c1-10-5-13(24-20-10)6-11-8-21(9-16(11)23-2)17(22)14-7-12(18)3-4-15(14)19/h3-5,7,11,16H,6,8-9H2,1-2H3/t11-,16+/m1/s1
InChIKeyJROWRSUGEUIVMR-BZNIZROVSA-N
MW352.79 g/mol
LogP3.11
Rot. Bonds4

About (5-chloro-2-fluorophenyl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

(5-chloro-2-fluorophenyl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 134697919) has the molecular formula C17H18ClFN2O3 and a molecular weight of 352.79 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID134697919
Molecular FormulaC17H18ClFN2O3
Molecular Weight352.79 g/mol
Exact Mass352.10
IUPAC Name(5-chloro-2-fluorophenyl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCO[C@H]1CN(C(=O)c2cc(Cl)ccc2F)C[C@H]1Cc1cc(C)no1
InChIInChI=1S/C17H18ClFN2O3/c1-10-5-13(24-20-10)6-11-8-21(9-16(11)23-2)17(22)14-7-12(18)3-4-15(14)19/h3-5,7,11,16H,6,8-9H2,1-2H3/t11-,16+/m1/s1
InChIKeyJROWRSUGEUIVMR-BZNIZROVSA-N
XLogP3.11
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 134708385
(5-chloro-2-methylphenyl)-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 134698089
(4-hydroxyphenyl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 135113701
[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-[2-(1-methylimidazol-2-yl)phenyl]methanone
CID 135088062
[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone
CID 135118692
5-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 135090973
(2,4-difluorophenyl)-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 134699567
4-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
CID 135087596
[(3S,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(4-thiophen-3-ylnaphthalen-1-yl)methanone
CID 175645822
1-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 135116419
[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 135097506
[3-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 134701487

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone (CID 134697919) is (5-chloro-2-fluorophenyl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone is CO[C@H]1CN(C(=O)c2cc(Cl)ccc2F)C[C@H]1Cc1cc(C)no1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is JROWRSUGEUIVMR-BZNIZROVSA-N. The full InChI is InChI=1S/C17H18ClFN2O3/c1-10-5-13(24-20-10)6-11-8-21(9-16(11)23-2)17(22)14-7-12(18)3-4-15(14)19/h3-5,7,11,16H,6,8-9H2,1-2H3/t11-,16+/m1/s1.
What are the key properties of (5-chloro-2-fluorophenyl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone?
(5-chloro-2-fluorophenyl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 352.79 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 134697919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).