2-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4-one

C13H12N2O2 — CID 140997684

IUPAC2-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4-one
SMILESC[C@@H](C1=NC(=O)CO1)c1c[nH]c2ccccc12
InChIInChI=1S/C13H12N2O2/c1-8(13-15-12(16)7-17-13)10-6-14-11-5-3-2-4-9(10)11/h2-6,8,14H,7H2,1H3/t8-/m1/s1
InChIKeyYZEJWNZTCCUUPB-MRVPVSSYSA-N
MW228.25 g/mol
LogP2.23
Rot. Bonds2

About 2-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4-one

2-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4-one (PubChem CID 140997684) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4-one.

Molecular Properties

Compound Name2-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4-one
PubChem CID140997684
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4-one
SMILESC[C@@H](C1=NC(=O)CO1)c1c[nH]c2ccccc12
InChIInChI=1S/C13H12N2O2/c1-8(13-15-12(16)7-17-13)10-6-14-11-5-3-2-4-9(10)11/h2-6,8,14H,7H2,1H3/t8-/m1/s1
InChIKeyYZEJWNZTCCUUPB-MRVPVSSYSA-N
XLogP2.23
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-amino-10-[(1R)-1-(1H-indol-3-yl)ethyl]-1-(4-oxo-1,3-oxazol-2-yl)-5,6-dihydro-2H-3,1-benzoxazocin-4-one
CID 139781566
3-propan-2-yl-1H-indole
CID 12534824
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 11131857
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
(3R)-3-(1H-indol-3-yl)-2-oxobutanoic acid
CID 118796912
2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-(1H-indol-3-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
CID 4089115
2-[(S)-1H-indol-3-yl(phenyl)methyl]indene-1,3-dione
CID 129384522
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
3-[(E)-5-methylhex-3-en-2-yl]-1H-indole
CID 102097534
2-amino-3-(1H-indol-3-yl)butanal
CID 174494789

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4-one?
The IUPAC name of 2-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4-one (CID 140997684) is 2-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4-one.
What is the SMILES notation for 2-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4-one?
The canonical SMILES for 2-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4-one is C[C@@H](C1=NC(=O)CO1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4-one?
The InChIKey is YZEJWNZTCCUUPB-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-8(13-15-12(16)7-17-13)10-6-14-11-5-3-2-4-9(10)11/h2-6,8,14H,7H2,1H3/t8-/m1/s1.
What are the key properties of 2-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4-one?
2-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4-one has a molecular weight of 228.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4-one is sourced from PubChem (CID 140997684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).