N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methylindole-6-carboxamide

C17H19N3O2 — CID 112529886

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methylindole-6-carboxamide
SMILESCc1noc(C)c1CCNC(=O)c1ccc2ccn(C)c2c1
InChIInChI=1S/C17H19N3O2/c1-11-15(12(2)22-19-11)6-8-18-17(21)14-5-4-13-7-9-20(3)16(13)10-14/h4-5,7,9-10H,6,8H2,1-3H3,(H,18,21)
InChIKeyFCHMBTVWMIIUQV-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.76
Rot. Bonds4

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methylindole-6-carboxamide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methylindole-6-carboxamide (PubChem CID 112529886) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methylindole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methylindole-6-carboxamide
PubChem CID112529886
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methylindole-6-carboxamide
SMILESCc1noc(C)c1CCNC(=O)c1ccc2ccn(C)c2c1
InChIInChI=1S/C17H19N3O2/c1-11-15(12(2)22-19-11)6-8-18-17(21)14-5-4-13-7-9-20(3)16(13)10-14/h4-5,7,9-10H,6,8H2,1-3H3,(H,18,21)
InChIKeyFCHMBTVWMIIUQV-UHFFFAOYSA-N
XLogP2.76
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-6-carboxamide
CID 112528639
1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide
CID 112530174
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbenzamide
CID 110422781
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dimethoxybenzamide
CID 110646263
1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide
CID 112530368
1-methyl-N-(2-morpholin-4-ylethyl)indole-6-carboxamide
CID 112520338
1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid
CID 136515806
2,6-dichloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 71865203
1-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-6-carboxamide
CID 71702523
1-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]indole-6-carboxamide
CID 125442836
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 110742839
1-propan-2-yl-N-(2-pyridin-4-ylethyl)indole-6-carboxamide
CID 71704832

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methylindole-6-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methylindole-6-carboxamide (CID 112529886) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methylindole-6-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methylindole-6-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methylindole-6-carboxamide is Cc1noc(C)c1CCNC(=O)c1ccc2ccn(C)c2c1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methylindole-6-carboxamide?
The InChIKey is FCHMBTVWMIIUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-15(12(2)22-19-11)6-8-18-17(21)14-5-4-13-7-9-20(3)16(13)10-14/h4-5,7,9-10H,6,8H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methylindole-6-carboxamide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methylindole-6-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methylindole-6-carboxamide is sourced from PubChem (CID 112529886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).