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

C19H19ClFN3O4 — CID 171518368

IUPACN-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluorooxolane-3-carboxamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)C4(F)CCOC4)cc3cc2Cl)on1
InChIInChI=1S/C19H19ClFN3O4/c1-11-4-14(28-24-11)9-27-17-7-16-12(6-15(17)20)5-13(23-16)8-22-18(25)19(21)2-3-26-10-19/h4-7,23H,2-3,8-10H2,1H3,(H,22,25)
InChIKeyAEMNREQGUYBBQP-UHFFFAOYSA-N
MW407.83 g/mol
LogP3.44
Rot. Bonds6

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

N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluorooxolane-3-carboxamide (PubChem CID 171518368) has the molecular formula C19H19ClFN3O4 and a molecular weight of 407.83 g/mol. Its IUPAC name is N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluorooxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluorooxolane-3-carboxamide
PubChem CID171518368
Molecular FormulaC19H19ClFN3O4
Molecular Weight407.83 g/mol
Exact Mass407.10
IUPAC NameN-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluorooxolane-3-carboxamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)C4(F)CCOC4)cc3cc2Cl)on1
InChIInChI=1S/C19H19ClFN3O4/c1-11-4-14(28-24-11)9-27-17-7-16-12(6-15(17)20)5-13(23-16)8-22-18(25)19(21)2-3-26-10-19/h4-7,23H,2-3,8-10H2,1H3,(H,22,25)
InChIKeyAEMNREQGUYBBQP-UHFFFAOYSA-N
XLogP3.44
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.83
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluorooxolane-3-carboxamide?
The IUPAC name of N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluorooxolane-3-carboxamide (CID 171518368) is N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluorooxolane-3-carboxamide.
What is the SMILES notation for N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluorooxolane-3-carboxamide?
The canonical SMILES for N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluorooxolane-3-carboxamide is Cc1cc(COc2cc3[nH]c(CNC(=O)C4(F)CCOC4)cc3cc2Cl)on1.
What is the InChIKey of N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluorooxolane-3-carboxamide?
The InChIKey is AEMNREQGUYBBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O4/c1-11-4-14(28-24-11)9-27-17-7-16-12(6-15(17)20)5-13(23-16)8-22-18(25)19(21)2-3-26-10-19/h4-7,23H,2-3,8-10H2,1H3,(H,22,25).
What are the key properties of N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluorooxolane-3-carboxamide?
N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluorooxolane-3-carboxamide has a molecular weight of 407.83 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluorooxolane-3-carboxamide is sourced from PubChem (CID 171518368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).