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

C17H18FN3O4 — CID 171517967

IUPAC(2R)-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)[C@@H](C)O)cc3cc2F)on1
InChIInChI=1S/C17H18FN3O4/c1-9-3-13(25-21-9)8-24-16-6-15-11(5-14(16)18)4-12(20-15)7-19-17(23)10(2)22/h3-6,10,20,22H,7-8H2,1-2H3,(H,19,23)/t10-/m1/s1
InChIKeyJOIXVAJUQVXQBH-SNVBAGLBSA-N
MW347.35 g/mol
LogP2.18
Rot. Bonds6

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

(2R)-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide (PubChem CID 171517967) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is (2R)-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide
PubChem CID171517967
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name(2R)-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)[C@@H](C)O)cc3cc2F)on1
InChIInChI=1S/C17H18FN3O4/c1-9-3-13(25-21-9)8-24-16-6-15-11(5-14(16)18)4-12(20-15)7-19-17(23)10(2)22/h3-6,10,20,22H,7-8H2,1-2H3,(H,19,23)/t10-/m1/s1
InChIKeyJOIXVAJUQVXQBH-SNVBAGLBSA-N
XLogP2.18
TPSA100.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylindole-3-carboxamide
CID 59762280
N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-[(5,6,7,8-tetrahydro-2-naphthalenyloxy)methyl]-3-isoxazolecarboxamide
CID 25384285
5-[(2,4-difluorophenoxy)methyl]-N-(1H-indol-2-ylmethyl)-3-isoxazolecarboxamide
CID 31017095
(r)-1-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-phenoxy]-3-(1,2,3,4-tetrahydro-beta-carbolin-2-yl)-propan-2-ol
CID 58928287
(s)-1-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-phenoxy]-3-(1,2,3,4-tetrahydro-beta-carbolin-2-yl)-propan-2-ol
CID 58928312
1-[4-(6-Fluoro-1,2-benzoxazol-3-yl)phenoxy]-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-ol
CID 72465826
2-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide
CID 90770139
N-[[4-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]propanamide
CID 171517819
1-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylurea
CID 171517843
N-[[5-(1-fluorocyclopropyl)-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171517856
N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-methoxyacetamide
CID 171517866
1-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-3-(2-fluoroethyl)urea
CID 171517874

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide?
The IUPAC name of (2R)-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide (CID 171517967) is (2R)-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide.
What is the SMILES notation for (2R)-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide?
The canonical SMILES for (2R)-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide is Cc1cc(COc2cc3[nH]c(CNC(=O)[C@@H](C)O)cc3cc2F)on1.
What is the InChIKey of (2R)-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide?
The InChIKey is JOIXVAJUQVXQBH-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-9-3-13(25-21-9)8-24-16-6-15-11(5-14(16)18)4-12(20-15)7-19-17(23)10(2)22/h3-6,10,20,22H,7-8H2,1-2H3,(H,19,23)/t10-/m1/s1.
What are the key properties of (2R)-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide?
(2R)-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide has a molecular weight of 347.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide is sourced from PubChem (CID 171517967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).