(2S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpyrrolidine-1-carboxamide

C19H21FN4O3 — CID 171518068

IUPAC(2S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpyrrolidine-1-carboxamide
SMILESC[C@H]1CCCN1C(=O)NCc1cc2cc(F)c(OCc3ccon3)cc2[nH]1
InChIInChI=1S/C19H21FN4O3/c1-12-3-2-5-24(12)19(25)21-10-15-7-13-8-16(20)18(9-17(13)22-15)26-11-14-4-6-27-23-14/h4,6-9,12,22H,2-3,5,10-11H2,1H3,(H,21,25)/t12-/m0/s1
InChIKeyDUQNEQBVKJLTKG-LBPRGKRZSA-N
MW372.40 g/mol
LogP3.57
Rot. Bonds5

About (2S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpyrrolidine-1-carboxamide

(2S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpyrrolidine-1-carboxamide (PubChem CID 171518068) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is (2S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpyrrolidine-1-carboxamide
PubChem CID171518068
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name(2S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpyrrolidine-1-carboxamide
SMILESC[C@H]1CCCN1C(=O)NCc1cc2cc(F)c(OCc3ccon3)cc2[nH]1
InChIInChI=1S/C19H21FN4O3/c1-12-3-2-5-24(12)19(25)21-10-15-7-13-8-16(20)18(9-17(13)22-15)26-11-14-4-6-27-23-14/h4,6-9,12,22H,2-3,5,10-11H2,1H3,(H,21,25)/t12-/m0/s1
InChIKeyDUQNEQBVKJLTKG-LBPRGKRZSA-N
XLogP3.57
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpyrrolidine-1-carboxamide (CID 171518068) is (2S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpyrrolidine-1-carboxamide is C[C@H]1CCCN1C(=O)NCc1cc2cc(F)c(OCc3ccon3)cc2[nH]1.
What is the InChIKey of (2S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpyrrolidine-1-carboxamide?
The InChIKey is DUQNEQBVKJLTKG-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-12-3-2-5-24(12)19(25)21-10-15-7-13-8-16(20)18(9-17(13)22-15)26-11-14-4-6-27-23-14/h4,6-9,12,22H,2-3,5,10-11H2,1H3,(H,21,25)/t12-/m0/s1.
What are the key properties of (2S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpyrrolidine-1-carboxamide?
(2S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpyrrolidine-1-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 171518068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).