N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-7-carboxamide

C16H17N3O2 — CID 112529888

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-7-carboxamide
SMILESCc1noc(C)c1CCNC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C16H17N3O2/c1-10-13(11(2)21-19-10)7-9-18-16(20)14-5-3-4-12-6-8-17-15(12)14/h3-6,8,17H,7,9H2,1-2H3,(H,18,20)
InChIKeyFACTUDPMRSFDII-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.75
Rot. Bonds4

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-7-carboxamide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-7-carboxamide (PubChem CID 112529888) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-7-carboxamide
PubChem CID112529888
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-7-carboxamide
SMILESCc1noc(C)c1CCNC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C16H17N3O2/c1-10-13(11(2)21-19-10)7-9-18-16(20)14-5-3-4-12-6-8-17-15(12)14/h3-6,8,17H,7,9H2,1-2H3,(H,18,20)
InChIKeyFACTUDPMRSFDII-UHFFFAOYSA-N
XLogP2.75
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 71865203
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1H-indol-7-yl)methanone
CID 96559171
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbenzamide
CID 110422781
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-7-carboxamide
CID 122570183
(2S)-2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006652
2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006316
N-[3-(methanesulfonamido)propyl]-1H-indole-7-carboxamide
CID 103706674
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-indole-7-carboxamide
CID 71917211
N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide
CID 106406322
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide
CID 114344508
N-(2-cyclobutylethyl)-1H-indole-7-carboxamide
CID 115687252
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 25163296

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-7-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-7-carboxamide (CID 112529888) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-7-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-7-carboxamide is Cc1noc(C)c1CCNC(=O)c1cccc2cc[nH]c12.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-7-carboxamide?
The InChIKey is FACTUDPMRSFDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-13(11(2)21-19-10)7-9-18-16(20)14-5-3-4-12-6-8-17-15(12)14/h3-6,8,17H,7,9H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-7-carboxamide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-7-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 112529888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).