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

C16H17N3O2 — CID 112528639

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-6-carboxamide
SMILESCc1noc(C)c1CNC(=O)c1ccc2ccn(C)c2c1
InChIInChI=1S/C16H17N3O2/c1-10-14(11(2)21-18-10)9-17-16(20)13-5-4-12-6-7-19(3)15(12)8-13/h4-8H,9H2,1-3H3,(H,17,20)
InChIKeyBARXZBPFAQGEFC-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.71
Rot. Bonds3

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-6-carboxamide (PubChem CID 112528639) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-6-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-6-carboxamide
PubChem CID112528639
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-6-carboxamide
SMILESCc1noc(C)c1CNC(=O)c1ccc2ccn(C)c2c1
InChIInChI=1S/C16H17N3O2/c1-10-14(11(2)21-18-10)9-17-16(20)13-5-4-12-6-7-19(3)15(12)8-13/h4-8H,9H2,1-3H3,(H,17,20)
InChIKeyBARXZBPFAQGEFC-UHFFFAOYSA-N
XLogP2.71
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methylindole-6-carboxamide
CID 112529886
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-4-carboxamide
CID 112528637
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide
CID 47861733
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 104627877
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide
CID 79241601
3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzamide
CID 103707100
1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide
CID 112530174
4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-nitrobenzamide
CID 47862981
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103865338
2-amino-6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-4-carboxamide
CID 78918282
1-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]indole-6-carboxamide
CID 125442836
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-2-methylbenzamide
CID 112702398

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-6-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-6-carboxamide (CID 112528639) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-6-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-6-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-6-carboxamide is Cc1noc(C)c1CNC(=O)c1ccc2ccn(C)c2c1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-6-carboxamide?
The InChIKey is BARXZBPFAQGEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-14(11(2)21-18-10)9-17-16(20)13-5-4-12-6-7-19(3)15(12)8-13/h4-8H,9H2,1-3H3,(H,17,20).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-6-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-6-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-6-carboxamide is sourced from PubChem (CID 112528639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).