N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide

C21H19N3O3 — CID 90574118

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc(OCc2ccccc2)no1
InChIInChI=1S/C21H19N3O3/c25-21(22-11-10-16-13-23-18-9-5-4-8-17(16)18)19-12-20(24-27-19)26-14-15-6-2-1-3-7-15/h1-9,12-13,23H,10-11,14H2,(H,22,25)
InChIKeyHARHQXBULJHTFA-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.71
Rot. Bonds7

About N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide (PubChem CID 90574118) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide
PubChem CID90574118
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc(OCc2ccccc2)no1
InChIInChI=1S/C21H19N3O3/c25-21(22-11-10-16-13-23-18-9-5-4-8-17(16)18)19-12-20(24-27-19)26-14-15-6-2-1-3-7-15/h1-9,12-13,23H,10-11,14H2,(H,22,25)
InChIKeyHARHQXBULJHTFA-UHFFFAOYSA-N
XLogP3.71
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574114
1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxypyrazole-4-carboxamide
CID 16925716
5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109104994
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide
CID 51200340
5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 4792773
5-(benzylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109188002
3-(1H-indol-3-ylmethyl)-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42569344
3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide
CID 90574012
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51210971
N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 42570504
3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645186

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide (CID 90574118) is N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cc(OCc2ccccc2)no1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
The InChIKey is HARHQXBULJHTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-21(22-11-10-16-13-23-18-9-5-4-8-17(16)18)19-12-20(24-27-19)26-14-15-6-2-1-3-7-15/h1-9,12-13,23H,10-11,14H2,(H,22,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90574118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).