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

C19H21FN4O3 — CID 171518016

IUPAC(3S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylpyrrolidine-1-carboxamide
SMILESC[C@H]1CCN(C(=O)NCc2cc3cc(F)c(OCc4ccon4)cc3[nH]2)C1
InChIInChI=1S/C19H21FN4O3/c1-12-2-4-24(10-12)19(25)21-9-15-6-13-7-16(20)18(8-17(13)22-15)26-11-14-3-5-27-23-14/h3,5-8,12,22H,2,4,9-11H2,1H3,(H,21,25)/t12-/m0/s1
InChIKeyZUOBRJJZICEHLI-LBPRGKRZSA-N
MW372.40 g/mol
LogP3.43
Rot. Bonds5

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

(3S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylpyrrolidine-1-carboxamide (PubChem CID 171518016) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is (3S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylpyrrolidine-1-carboxamide
PubChem CID171518016
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name(3S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylpyrrolidine-1-carboxamide
SMILESC[C@H]1CCN(C(=O)NCc2cc3cc(F)c(OCc4ccon4)cc3[nH]2)C1
InChIInChI=1S/C19H21FN4O3/c1-12-2-4-24(10-12)19(25)21-9-15-6-13-7-16(20)18(8-17(13)22-15)26-11-14-3-5-27-23-14/h3,5-8,12,22H,2,4,9-11H2,1H3,(H,21,25)/t12-/m0/s1
InChIKeyZUOBRJJZICEHLI-LBPRGKRZSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylpyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylpyrrolidine-1-carboxamide (CID 171518016) is (3S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylpyrrolidine-1-carboxamide is C[C@H]1CCN(C(=O)NCc2cc3cc(F)c(OCc4ccon4)cc3[nH]2)C1.
What is the InChIKey of (3S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylpyrrolidine-1-carboxamide?
The InChIKey is ZUOBRJJZICEHLI-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-12-2-4-24(10-12)19(25)21-9-15-6-13-7-16(20)18(8-17(13)22-15)26-11-14-3-5-27-23-14/h3,5-8,12,22H,2,4,9-11H2,1H3,(H,21,25)/t12-/m0/s1.
What are the key properties of (3S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylpyrrolidine-1-carboxamide?
(3S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylpyrrolidine-1-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 171518016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).