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

C18H18FN3O4 — CID 171519022

IUPACN-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]oxetane-2-carboxamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)C4CCO4)cc3cc2F)on1
InChIInChI=1S/C18H18FN3O4/c1-10-4-13(26-22-10)9-25-17-7-15-11(6-14(17)19)5-12(21-15)8-20-18(23)16-2-3-24-16/h4-7,16,21H,2-3,8-9H2,1H3,(H,20,23)
InChIKeyZCBXPCWARPADSY-UHFFFAOYSA-N
MW359.36 g/mol
LogP2.59
Rot. Bonds6

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

N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]oxetane-2-carboxamide (PubChem CID 171519022) has the molecular formula C18H18FN3O4 and a molecular weight of 359.36 g/mol. Its IUPAC name is N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]oxetane-2-carboxamide.

Molecular Properties

Compound NameN-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]oxetane-2-carboxamide
PubChem CID171519022
Molecular FormulaC18H18FN3O4
Molecular Weight359.36 g/mol
Exact Mass359.13
IUPAC NameN-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]oxetane-2-carboxamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)C4CCO4)cc3cc2F)on1
InChIInChI=1S/C18H18FN3O4/c1-10-4-13(26-22-10)9-25-17-7-15-11(6-14(17)19)5-12(21-15)8-20-18(23)16-2-3-24-16/h4-7,16,21H,2-3,8-9H2,1H3,(H,20,23)
InChIKeyZCBXPCWARPADSY-UHFFFAOYSA-N
XLogP2.59
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide
CID 171519183
(2S)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclobutane-1-carboxamide
CID 171731902
N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-(oxetan-2-yl)acetamide
CID 171519805
trans-(1R,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 171519496
(2S)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylazetidine-2-carboxamide
CID 171518169
N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-7-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 171517886
N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-(difluoromethyl)azetidine-1-carboxamide
CID 171519376
(2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxybutanamide
CID 171518498
N-[[5-fluoro-6-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide
CID 171518291
N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpyrrolidine-1-carboxamide
CID 171518233
N-[[5-fluoro-6-[(2-methyl-1,3-oxazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-2-methylpropanamide
CID 171518515
N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpropanamide
CID 171518318

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]oxetane-2-carboxamide?
The IUPAC name of N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]oxetane-2-carboxamide (CID 171519022) is N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]oxetane-2-carboxamide.
What is the SMILES notation for N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]oxetane-2-carboxamide?
The canonical SMILES for N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]oxetane-2-carboxamide is Cc1cc(COc2cc3[nH]c(CNC(=O)C4CCO4)cc3cc2F)on1.
What is the InChIKey of N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]oxetane-2-carboxamide?
The InChIKey is ZCBXPCWARPADSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4/c1-10-4-13(26-22-10)9-25-17-7-15-11(6-14(17)19)5-12(21-15)8-20-18(23)16-2-3-24-16/h4-7,16,21H,2-3,8-9H2,1H3,(H,20,23).
What are the key properties of N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]oxetane-2-carboxamide?
N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]oxetane-2-carboxamide has a molecular weight of 359.36 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]oxetane-2-carboxamide is sourced from PubChem (CID 171519022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).