N-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide

C19H21FN4O3 — CID 171518090

IUPACN-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)N4CCCC4)cc3cc2F)no1
InChIInChI=1S/C19H21FN4O3/c1-12-6-15(23-27-12)11-26-18-9-17-13(8-16(18)20)7-14(22-17)10-21-19(25)24-4-2-3-5-24/h6-9,22H,2-5,10-11H2,1H3,(H,21,25)
InChIKeyUGLWDSAKMORCKQ-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.49
Rot. Bonds5

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

N-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 171518090) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID171518090
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC NameN-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)N4CCCC4)cc3cc2F)no1
InChIInChI=1S/C19H21FN4O3/c1-12-6-15(23-27-12)11-26-18-9-17-13(8-16(18)20)7-14(22-17)10-21-19(25)24-4-2-3-5-24/h6-9,22H,2-5,10-11H2,1H3,(H,21,25)
InChIKeyUGLWDSAKMORCKQ-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide (CID 171518090) is N-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide is Cc1cc(COc2cc3[nH]c(CNC(=O)N4CCCC4)cc3cc2F)no1.
What is the InChIKey of N-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is UGLWDSAKMORCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-12-6-15(23-27-12)11-26-18-9-17-13(8-16(18)20)7-14(22-17)10-21-19(25)24-4-2-3-5-24/h6-9,22H,2-5,10-11H2,1H3,(H,21,25).
What are the key properties of N-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide?
N-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 171518090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).