N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-indol-1-ylacetamide

C16H17N3O2 — CID 87043777

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-indol-1-ylacetamide
SMILESCc1nc(CNC(=O)Cn2ccc3ccccc32)oc1C
InChIInChI=1S/C16H17N3O2/c1-11-12(2)21-16(18-11)9-17-15(20)10-19-8-7-13-5-3-4-6-14(13)19/h3-8H,9-10H2,1-2H3,(H,17,20)
InChIKeyFESCKWMDKKIHBY-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.56
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-indol-1-ylacetamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-indol-1-ylacetamide (PubChem CID 87043777) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-indol-1-ylacetamide
PubChem CID87043777
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-indol-1-ylacetamide
SMILESCc1nc(CNC(=O)Cn2ccc3ccccc32)oc1C
InChIInChI=1S/C16H17N3O2/c1-11-12(2)21-16(18-11)9-17-15(20)10-19-8-7-13-5-3-4-6-14(13)19/h3-8H,9-10H2,1-2H3,(H,17,20)
InChIKeyFESCKWMDKKIHBY-UHFFFAOYSA-N
XLogP2.56
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 111341584
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106371582
N-(cyanomethyl)-2-indol-1-ylacetamide
CID 55220475
3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylindole-2-carboxamide
CID 86822495
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-indol-1-ylacetamide
CID 111481492
2-indol-1-yl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
CID 122353777
N-tert-butyl-2-indol-1-ylacetamide
CID 47348922
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 47344961
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103890358
2-(6-chloroindol-1-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
CID 86950555

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-indol-1-ylacetamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-indol-1-ylacetamide (CID 87043777) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-indol-1-ylacetamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-indol-1-ylacetamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-indol-1-ylacetamide is Cc1nc(CNC(=O)Cn2ccc3ccccc32)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-indol-1-ylacetamide?
The InChIKey is FESCKWMDKKIHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-12(2)21-16(18-11)9-17-15(20)10-19-8-7-13-5-3-4-6-14(13)19/h3-8H,9-10H2,1-2H3,(H,17,20).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-indol-1-ylacetamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-indol-1-ylacetamide has a molecular weight of 283.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-indol-1-ylacetamide is sourced from PubChem (CID 87043777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).