2-chloro-N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide

C17H19ClFN3O2 — CID 98042041

IUPAC2-chloro-N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide
SMILESCc1noc(C)c1CN1CC[C@@H](NC(=O)c2ccc(F)cc2Cl)C1
InChIInChI=1S/C17H19ClFN3O2/c1-10-15(11(2)24-21-10)9-22-6-5-13(8-22)20-17(23)14-4-3-12(19)7-16(14)18/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyKMCNKCQZJLPVNI-CYBMUJFWSA-N
MW351.81 g/mol
LogP3.09
Rot. Bonds4

About 2-chloro-N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide

2-chloro-N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide (PubChem CID 98042041) has the molecular formula C17H19ClFN3O2 and a molecular weight of 351.81 g/mol. Its IUPAC name is 2-chloro-N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide
PubChem CID98042041
Molecular FormulaC17H19ClFN3O2
Molecular Weight351.81 g/mol
Exact Mass351.11
IUPAC Name2-chloro-N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide
SMILESCc1noc(C)c1CN1CC[C@@H](NC(=O)c2ccc(F)cc2Cl)C1
InChIInChI=1S/C17H19ClFN3O2/c1-10-15(11(2)24-21-10)9-22-6-5-13(8-22)20-17(23)14-4-3-12(19)7-16(14)18/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyKMCNKCQZJLPVNI-CYBMUJFWSA-N
XLogP3.09
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide with MolForge

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Related Compounds

2-chloro-N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide
CID 98042040
N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide
CID 99740337
N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]furan-3-carboxamide
CID 98042037
N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-3,5-dimethoxybenzamide
CID 98042058
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 75527487
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9268823
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylacetamide
CID 171146257
5-cyclopropyl-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 171146250
N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 95293761
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylacetamide
CID 75461556
(2,4-difluorophenyl)-[(1S,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 72925043
ethyl N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]carbamate
CID 94154330

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide (CID 98042041) is 2-chloro-N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide is Cc1noc(C)c1CN1CC[C@@H](NC(=O)c2ccc(F)cc2Cl)C1.
What is the InChIKey of 2-chloro-N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide?
The InChIKey is KMCNKCQZJLPVNI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19ClFN3O2/c1-10-15(11(2)24-21-10)9-22-6-5-13(8-22)20-17(23)14-4-3-12(19)7-16(14)18/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,20,23)/t13-/m1/s1.
What are the key properties of 2-chloro-N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide?
2-chloro-N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide has a molecular weight of 351.81 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 98042041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).