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

C17H17ClFN3O4 — CID 171518149

IUPACN-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluoro-2-hydroxypropanamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)C(O)CF)cc3cc2Cl)on1
InChIInChI=1S/C17H17ClFN3O4/c1-9-2-12(26-22-9)8-25-16-5-14-10(4-13(16)18)3-11(21-14)7-20-17(24)15(23)6-19/h2-5,15,21,23H,6-8H2,1H3,(H,20,24)
InChIKeySLVSXMXLZPUFPF-UHFFFAOYSA-N
MW381.79 g/mol
LogP2.64
Rot. Bonds7

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

N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluoro-2-hydroxypropanamide (PubChem CID 171518149) has the molecular formula C17H17ClFN3O4 and a molecular weight of 381.79 g/mol. Its IUPAC name is N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluoro-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluoro-2-hydroxypropanamide
PubChem CID171518149
Molecular FormulaC17H17ClFN3O4
Molecular Weight381.79 g/mol
Exact Mass381.09
IUPAC NameN-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluoro-2-hydroxypropanamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)C(O)CF)cc3cc2Cl)on1
InChIInChI=1S/C17H17ClFN3O4/c1-9-2-12(26-22-9)8-25-16-5-14-10(4-13(16)18)3-11(21-14)7-20-17(24)15(23)6-19/h2-5,15,21,23H,6-8H2,1H3,(H,20,24)
InChIKeySLVSXMXLZPUFPF-UHFFFAOYSA-N
XLogP2.64
TPSA100.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.79
LogP ≤ 52.64
H-Bond Donors ≤ 53
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-fluoro-2-hydroxypropanamide?
The IUPAC name of N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluoro-2-hydroxypropanamide (CID 171518149) is N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluoro-2-hydroxypropanamide.
What is the SMILES notation for N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluoro-2-hydroxypropanamide?
The canonical SMILES for N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluoro-2-hydroxypropanamide is Cc1cc(COc2cc3[nH]c(CNC(=O)C(O)CF)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-fluoro-2-hydroxypropanamide?
The InChIKey is SLVSXMXLZPUFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O4/c1-9-2-12(26-22-9)8-25-16-5-14-10(4-13(16)18)3-11(21-14)7-20-17(24)15(23)6-19/h2-5,15,21,23H,6-8H2,1H3,(H,20,24).
What are the key properties of N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluoro-2-hydroxypropanamide?
N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-fluoro-2-hydroxypropanamide has a molecular weight of 381.79 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 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-fluoro-2-hydroxypropanamide is sourced from PubChem (CID 171518149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).