1,3-benzoxazol-2-ylmethyl 2-(1H-indol-3-yl)acetate

C18H14N2O3 — CID 40735475

IUPAC1,3-benzoxazol-2-ylmethyl 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OCc1nc2ccccc2o1
InChIInChI=1S/C18H14N2O3/c21-18(9-12-10-19-14-6-2-1-5-13(12)14)22-11-17-20-15-7-3-4-8-16(15)23-17/h1-8,10,19H,9,11H2
InChIKeyWGFWZACGIGRWFO-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.60
Rot. Bonds4

About 1,3-benzoxazol-2-ylmethyl 2-(1H-indol-3-yl)acetate

1,3-benzoxazol-2-ylmethyl 2-(1H-indol-3-yl)acetate (PubChem CID 40735475) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 1,3-benzoxazol-2-ylmethyl 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name1,3-benzoxazol-2-ylmethyl 2-(1H-indol-3-yl)acetate
PubChem CID40735475
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name1,3-benzoxazol-2-ylmethyl 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OCc1nc2ccccc2o1
InChIInChI=1S/C18H14N2O3/c21-18(9-12-10-19-14-6-2-1-5-13(12)14)22-11-17-20-15-7-3-4-8-16(15)23-17/h1-8,10,19H,9,11H2
InChIKeyWGFWZACGIGRWFO-UHFFFAOYSA-N
XLogP3.60
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzoxazol-2-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 110741802
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate
CID 8511705
(2-fluorophenyl)methyl 2-(1H-indol-3-yl)acetate
CID 7665649
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(1H-indol-3-yl)acetate
CID 7663974
1,3-benzoxazol-2-ylmethyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 9458118
prop-2-enyl 2-(1H-indol-3-yl)acetate
CID 14701449
(7-ethyl-2-oxochromen-4-yl)methyl 2-(1H-indol-3-yl)acetate
CID 7960202
chloro 2-(1H-indol-3-yl)acetate
CID 174694401
[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(1H-indol-3-yl)acetate
CID 41427750
1,3-benzoxazol-2-ylmethyl 2-benzamidoacetate
CID 40734432
(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 31419397
2,3,4-tris[[2-(1H-indol-3-yl)acetyl]oxy]butyl 2-(1H-indol-3-yl)acetate
CID 146458063

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-2-ylmethyl 2-(1H-indol-3-yl)acetate?
The IUPAC name of 1,3-benzoxazol-2-ylmethyl 2-(1H-indol-3-yl)acetate (CID 40735475) is 1,3-benzoxazol-2-ylmethyl 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for 1,3-benzoxazol-2-ylmethyl 2-(1H-indol-3-yl)acetate?
The canonical SMILES for 1,3-benzoxazol-2-ylmethyl 2-(1H-indol-3-yl)acetate is O=C(Cc1c[nH]c2ccccc12)OCc1nc2ccccc2o1.
What is the InChIKey of 1,3-benzoxazol-2-ylmethyl 2-(1H-indol-3-yl)acetate?
The InChIKey is WGFWZACGIGRWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-18(9-12-10-19-14-6-2-1-5-13(12)14)22-11-17-20-15-7-3-4-8-16(15)23-17/h1-8,10,19H,9,11H2.
What are the key properties of 1,3-benzoxazol-2-ylmethyl 2-(1H-indol-3-yl)acetate?
1,3-benzoxazol-2-ylmethyl 2-(1H-indol-3-yl)acetate has a molecular weight of 306.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazol-2-ylmethyl 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 40735475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).