(3R)-1-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]pyrrolidine-1,3-dicarboxamide

C17H19FN4O3 — CID 95299541

IUPAC(3R)-1-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)[C@@H]1CCN(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C17H19FN4O3/c18-13-3-1-11(2-4-13)16-21-14(10-25-16)5-7-20-17(24)22-8-6-12(9-22)15(19)23/h1-4,10,12H,5-9H2,(H2,19,23)(H,20,24)/t12-/m1/s1
InChIKeyRVFLHXPAEOYRFW-GFCCVEGCSA-N
MW346.36 g/mol
LogP1.54
Rot. Bonds5

About (3R)-1-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]pyrrolidine-1,3-dicarboxamide

(3R)-1-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]pyrrolidine-1,3-dicarboxamide (PubChem CID 95299541) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is (3R)-1-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]pyrrolidine-1,3-dicarboxamide
PubChem CID95299541
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name(3R)-1-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)[C@@H]1CCN(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C17H19FN4O3/c18-13-3-1-11(2-4-13)16-21-14(10-25-16)5-7-20-17(24)22-8-6-12(9-22)15(19)23/h1-4,10,12H,5-9H2,(H2,19,23)(H,20,24)/t12-/m1/s1
InChIKeyRVFLHXPAEOYRFW-GFCCVEGCSA-N
XLogP1.54
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122000012
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 131960865
(3S)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1,1-dioxothiolane-3-carboxamide
CID 97184194
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111728203
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea
CID 86816786
1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
CID 119411851
2-[(1S)-cyclopent-2-en-1-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]acetamide
CID 95288243
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104191
4-ethoxy-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111959298
ethyl 1-[N'-methyl-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 111157226
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111739984
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]guanidine
CID 111097117

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]pyrrolidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]pyrrolidine-1,3-dicarboxamide (CID 95299541) is (3R)-1-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]pyrrolidine-1,3-dicarboxamide is NC(=O)[C@@H]1CCN(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of (3R)-1-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]pyrrolidine-1,3-dicarboxamide?
The InChIKey is RVFLHXPAEOYRFW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19FN4O3/c18-13-3-1-11(2-4-13)16-21-14(10-25-16)5-7-20-17(24)22-8-6-12(9-22)15(19)23/h1-4,10,12H,5-9H2,(H2,19,23)(H,20,24)/t12-/m1/s1.
What are the key properties of (3R)-1-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]pyrrolidine-1,3-dicarboxamide?
(3R)-1-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]pyrrolidine-1,3-dicarboxamide has a molecular weight of 346.36 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 95299541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).