4-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-indole-2-carboxamide

C17H12FN3O2 — CID 36805707

IUPAC4-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-indole-2-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc4c(F)cccc4[nH]3)ccc2o1
InChIInChI=1S/C17H12FN3O2/c1-9-19-14-7-10(5-6-16(14)23-9)20-17(22)15-8-11-12(18)3-2-4-13(11)21-15/h2-8,21H,1H3,(H,20,22)
InChIKeyDLDGQYRBPKKPJY-UHFFFAOYSA-N
MW309.30 g/mol
LogP4.01
Rot. Bonds2

About 4-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-indole-2-carboxamide

4-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-indole-2-carboxamide (PubChem CID 36805707) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 4-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-indole-2-carboxamide
PubChem CID36805707
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name4-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-indole-2-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc4c(F)cccc4[nH]3)ccc2o1
InChIInChI=1S/C17H12FN3O2/c1-9-19-14-7-10(5-6-16(14)23-9)20-17(22)15-8-11-12(18)3-2-4-13(11)21-15/h2-8,21H,1H3,(H,20,22)
InChIKeyDLDGQYRBPKKPJY-UHFFFAOYSA-N
XLogP4.01
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide
CID 36852655
4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide
CID 36817888
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide
CID 34303593
4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 25474421
4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 36865190
4-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide
CID 112525549
N-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide
CID 110864757
4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide
CID 32639423
2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 166210603
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
N-[6-(diethylamino)-3-pyridinyl]-4-fluoro-1H-indole-2-carboxamide
CID 55843504
2-[(2-fluorophenyl)methylsulfanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 9490452

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-indole-2-carboxamide (CID 36805707) is 4-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-indole-2-carboxamide is Cc1nc2cc(NC(=O)c3cc4c(F)cccc4[nH]3)ccc2o1.
What is the InChIKey of 4-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-indole-2-carboxamide?
The InChIKey is DLDGQYRBPKKPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c1-9-19-14-7-10(5-6-16(14)23-9)20-17(22)15-8-11-12(18)3-2-4-13(11)21-15/h2-8,21H,1H3,(H,20,22).
What are the key properties of 4-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-indole-2-carboxamide?
4-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-indole-2-carboxamide has a molecular weight of 309.30 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 36805707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).