N-[2-(1H-indol-3-yl)ethyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

C21H19N3O2S — CID 90502561

IUPACN-[2-(1H-indol-3-yl)ethyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1(c2cc(-c3cccs3)on2)CC1
InChIInChI=1S/C21H19N3O2S/c25-20(22-10-7-14-13-23-16-5-2-1-4-15(14)16)21(8-9-21)19-12-17(26-24-19)18-6-3-11-27-18/h1-6,11-13,23H,7-10H2,(H,22,25)
InChIKeyPSUGWVSAEMGEGH-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.27
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 90502561) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
PubChem CID90502561
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1(c2cc(-c3cccs3)on2)CC1
InChIInChI=1S/C21H19N3O2S/c25-20(22-10-7-14-13-23-16-5-2-1-4-15(14)16)21(8-9-21)19-12-17(26-24-19)18-6-3-11-27-18/h1-6,11-13,23H,7-10H2,(H,22,25)
InChIKeyPSUGWVSAEMGEGH-UHFFFAOYSA-N
XLogP4.27
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 90504363
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 90504058
N-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-yloxane-4-carboxamide
CID 7217402
1-(5-phenyl-1,2-oxazol-3-yl)-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 90503329
1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 2466291
1-(3-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 110438172
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclobutane-1-carboxamide
CID 110438229
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 39058421
N-[2-(1H-indol-3-yl)ethyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210779
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 71885829
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119263383
3-amino-N-[2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide
CID 64893613

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (CID 90502561) is N-[2-(1H-indol-3-yl)ethyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is O=C(NCCc1c[nH]c2ccccc12)C1(c2cc(-c3cccs3)on2)CC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is PSUGWVSAEMGEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c25-20(22-10-7-14-13-23-16-5-2-1-4-15(14)16)21(8-9-21)19-12-17(26-24-19)18-6-3-11-27-18/h1-6,11-13,23H,7-10H2,(H,22,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 4.27, 6 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]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90502561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).