N-[[5-fluoro-6-(1,2-oxazol-3-ylmethylamino)-1H-indol-2-yl]methyl]acetamide

C15H15FN4O2 — CID 171518568

IUPACN-[[5-fluoro-6-(1,2-oxazol-3-ylmethylamino)-1H-indol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2cc(F)c(NCc3ccon3)cc2[nH]1
InChIInChI=1S/C15H15FN4O2/c1-9(21)17-8-12-4-10-5-13(16)15(6-14(10)19-12)18-7-11-2-3-22-20-11/h2-6,18-19H,7-8H2,1H3,(H,17,21)
InChIKeyRSQWRAVKMMWHTA-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.54
Rot. Bonds5

About N-[[5-fluoro-6-(1,2-oxazol-3-ylmethylamino)-1H-indol-2-yl]methyl]acetamide

N-[[5-fluoro-6-(1,2-oxazol-3-ylmethylamino)-1H-indol-2-yl]methyl]acetamide (PubChem CID 171518568) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is N-[[5-fluoro-6-(1,2-oxazol-3-ylmethylamino)-1H-indol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-fluoro-6-(1,2-oxazol-3-ylmethylamino)-1H-indol-2-yl]methyl]acetamide
PubChem CID171518568
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC NameN-[[5-fluoro-6-(1,2-oxazol-3-ylmethylamino)-1H-indol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2cc(F)c(NCc3ccon3)cc2[nH]1
InChIInChI=1S/C15H15FN4O2/c1-9(21)17-8-12-4-10-5-13(16)15(6-14(10)19-12)18-7-11-2-3-22-20-11/h2-6,18-19H,7-8H2,1H3,(H,17,21)
InChIKeyRSQWRAVKMMWHTA-UHFFFAOYSA-N
XLogP2.54
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 171519810
N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpyrrolidine-1-carboxamide
CID 171518233
N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 171518276
N-(1H-indol-2-ylmethyl)acetamide
CID 66552376
1-methyl-N-[[6-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171518968
N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropanecarboxamide
CID 171518930
4-amino-2-(1,2-oxazol-3-ylmethylamino)benzamide
CID 81170408
4-amino-N-ethyl-2-(1,2-oxazol-3-ylmethylamino)benzamide
CID 81171388
N-[[5-chloro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3,3-difluorocyclobutane-1-carboxamide
CID 171518874
N-[[5-chloro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide
CID 171518561
5-chloro-2-(1,2-oxazol-3-ylmethylamino)benzoic acid
CID 81177559
4-amino-3-(1,2-oxazol-3-ylmethylamino)benzamide
CID 81170855

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-6-(1,2-oxazol-3-ylmethylamino)-1H-indol-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-fluoro-6-(1,2-oxazol-3-ylmethylamino)-1H-indol-2-yl]methyl]acetamide (CID 171518568) is N-[[5-fluoro-6-(1,2-oxazol-3-ylmethylamino)-1H-indol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-fluoro-6-(1,2-oxazol-3-ylmethylamino)-1H-indol-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-fluoro-6-(1,2-oxazol-3-ylmethylamino)-1H-indol-2-yl]methyl]acetamide is CC(=O)NCc1cc2cc(F)c(NCc3ccon3)cc2[nH]1.
What is the InChIKey of N-[[5-fluoro-6-(1,2-oxazol-3-ylmethylamino)-1H-indol-2-yl]methyl]acetamide?
The InChIKey is RSQWRAVKMMWHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c1-9(21)17-8-12-4-10-5-13(16)15(6-14(10)19-12)18-7-11-2-3-22-20-11/h2-6,18-19H,7-8H2,1H3,(H,17,21).
What are the key properties of N-[[5-fluoro-6-(1,2-oxazol-3-ylmethylamino)-1H-indol-2-yl]methyl]acetamide?
N-[[5-fluoro-6-(1,2-oxazol-3-ylmethylamino)-1H-indol-2-yl]methyl]acetamide has a molecular weight of 302.31 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-6-(1,2-oxazol-3-ylmethylamino)-1H-indol-2-yl]methyl]acetamide is sourced from PubChem (CID 171518568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).