N-(1H-indol-7-yl)-5-methyl-1,3-oxazole-2-carboxamide

C13H11N3O2 — CID 112526586

IUPACN-(1H-indol-7-yl)-5-methyl-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc3cc[nH]c23)o1
InChIInChI=1S/C13H11N3O2/c1-8-7-15-13(18-8)12(17)16-10-4-2-3-9-5-6-14-11(9)10/h2-7,14H,1H3,(H,16,17)
InChIKeyBCCVMGBJGAVDSG-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.72
Rot. Bonds2

About N-(1H-indol-7-yl)-5-methyl-1,3-oxazole-2-carboxamide

N-(1H-indol-7-yl)-5-methyl-1,3-oxazole-2-carboxamide (PubChem CID 112526586) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(1H-indol-7-yl)-5-methyl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-7-yl)-5-methyl-1,3-oxazole-2-carboxamide
PubChem CID112526586
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN-(1H-indol-7-yl)-5-methyl-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc3cc[nH]c23)o1
InChIInChI=1S/C13H11N3O2/c1-8-7-15-13(18-8)12(17)16-10-4-2-3-9-5-6-14-11(9)10/h2-7,14H,1H3,(H,16,17)
InChIKeyBCCVMGBJGAVDSG-UHFFFAOYSA-N
XLogP2.72
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indol-7-yl)-2,4-dimethylfuran-3-carboxamide
CID 112526566
N-(2-methyl-3-pyridinyl)-1H-indole-7-carboxamide
CID 79044351
(Z)-4-(1H-indol-7-ylamino)pent-3-en-2-one
CID 11820554
[2-(1H-indol-7-ylcarbamoyl)phenyl] acetate
CID 69027217
N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-indole-7-carboxamide
CID 112522853
1-(1H-indol-7-yl)-3-[4-(1H-indol-7-ylcarbamoylamino)butyl]urea
CID 139042864
bis(N-(1H-indol-7-yl)-2-[4-(1H-indol-7-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);tetrakis(tetrabutylazanium);tetrachloride
CID 139181225
N-(1H-indazol-5-yl)-5-methyl-1,3-oxazole-2-carboxamide
CID 112527219
N-(1H-indol-7-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 112526632
N-methoxy-5-methyl-1,3-oxazole-2-carboxamide
CID 126994874
4-(1H-indol-7-ylamino)-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 118473467
N-(6-methyl-2-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 71460353

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-7-yl)-5-methyl-1,3-oxazole-2-carboxamide?
The IUPAC name of N-(1H-indol-7-yl)-5-methyl-1,3-oxazole-2-carboxamide (CID 112526586) is N-(1H-indol-7-yl)-5-methyl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-(1H-indol-7-yl)-5-methyl-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-(1H-indol-7-yl)-5-methyl-1,3-oxazole-2-carboxamide is Cc1cnc(C(=O)Nc2cccc3cc[nH]c23)o1.
What is the InChIKey of N-(1H-indol-7-yl)-5-methyl-1,3-oxazole-2-carboxamide?
The InChIKey is BCCVMGBJGAVDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8-7-15-13(18-8)12(17)16-10-4-2-3-9-5-6-14-11(9)10/h2-7,14H,1H3,(H,16,17).
What are the key properties of N-(1H-indol-7-yl)-5-methyl-1,3-oxazole-2-carboxamide?
N-(1H-indol-7-yl)-5-methyl-1,3-oxazole-2-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-7-yl)-5-methyl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 112526586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).