4-amino-5-[(1-methylindol-3-yl)methyl]-1,2-oxazol-3-one

C13H13N3O2 — CID 82386466

IUPAC4-amino-5-[(1-methylindol-3-yl)methyl]-1,2-oxazol-3-one
SMILESCn1cc(Cc2o[nH]c(=O)c2N)c2ccccc21
InChIInChI=1S/C13H13N3O2/c1-16-7-8(9-4-2-3-5-10(9)16)6-11-12(14)13(17)15-18-11/h2-5,7H,6,14H2,1H3,(H,15,17)
InChIKeyZDDQXKZPAVLJFC-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.63
Rot. Bonds2

About 4-amino-5-[(1-methylindol-3-yl)methyl]-1,2-oxazol-3-one

4-amino-5-[(1-methylindol-3-yl)methyl]-1,2-oxazol-3-one (PubChem CID 82386466) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-amino-5-[(1-methylindol-3-yl)methyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name4-amino-5-[(1-methylindol-3-yl)methyl]-1,2-oxazol-3-one
PubChem CID82386466
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name4-amino-5-[(1-methylindol-3-yl)methyl]-1,2-oxazol-3-one
SMILESCn1cc(Cc2o[nH]c(=O)c2N)c2ccccc21
InChIInChI=1S/C13H13N3O2/c1-16-7-8(9-4-2-3-5-10(9)16)6-11-12(14)13(17)15-18-11/h2-5,7H,6,14H2,1H3,(H,15,17)
InChIKeyZDDQXKZPAVLJFC-UHFFFAOYSA-N
XLogP1.63
TPSA76.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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methanamine;2-(1-methylindol-3-yl)acetaldehyde
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2-(1-methylindol-3-yl)ethanesulfonyl chloride
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2-(1-methylindol-3-yl)acetyl cyanide
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3-(2-bromoethyl)-1-methylindole
CID 13153306
4-[(1-methylindol-3-yl)methyl]-1,3-dihydrobenzimidazole-2-thione
CID 69458449
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
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4-[3-[(1-methylindol-3-yl)methyl]pyrazin-2-yl]-1,2-dihydropyrazol-3-one
CID 91354547

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(1-methylindol-3-yl)methyl]-1,2-oxazol-3-one?
The IUPAC name of 4-amino-5-[(1-methylindol-3-yl)methyl]-1,2-oxazol-3-one (CID 82386466) is 4-amino-5-[(1-methylindol-3-yl)methyl]-1,2-oxazol-3-one.
What is the SMILES notation for 4-amino-5-[(1-methylindol-3-yl)methyl]-1,2-oxazol-3-one?
The canonical SMILES for 4-amino-5-[(1-methylindol-3-yl)methyl]-1,2-oxazol-3-one is Cn1cc(Cc2o[nH]c(=O)c2N)c2ccccc21.
What is the InChIKey of 4-amino-5-[(1-methylindol-3-yl)methyl]-1,2-oxazol-3-one?
The InChIKey is ZDDQXKZPAVLJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16-7-8(9-4-2-3-5-10(9)16)6-11-12(14)13(17)15-18-11/h2-5,7H,6,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-5-[(1-methylindol-3-yl)methyl]-1,2-oxazol-3-one?
4-amino-5-[(1-methylindol-3-yl)methyl]-1,2-oxazol-3-one has a molecular weight of 243.27 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(1-methylindol-3-yl)methyl]-1,2-oxazol-3-one is sourced from PubChem (CID 82386466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).