1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea

C17H21N5O2 — CID 71913106

IUPAC1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
SMILESCCC(NC(=O)NCCc1cc2ccccc2[nH]1)c1noc(C)n1
InChIInChI=1S/C17H21N5O2/c1-3-14(16-19-11(2)24-22-16)21-17(23)18-9-8-13-10-12-6-4-5-7-15(12)20-13/h4-7,10,14,20H,3,8-9H2,1-2H3,(H2,18,21,23)
InChIKeyMEOHXRKWQKKKLK-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.85
Rot. Bonds6

About 1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea

1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea (PubChem CID 71913106) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea.

Molecular Properties

Compound Name1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
PubChem CID71913106
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
SMILESCCC(NC(=O)NCCc1cc2ccccc2[nH]1)c1noc(C)n1
InChIInChI=1S/C17H21N5O2/c1-3-14(16-19-11(2)24-22-16)21-17(23)18-9-8-13-10-12-6-4-5-7-15(12)20-13/h4-7,10,14,20H,3,8-9H2,1-2H3,(H2,18,21,23)
InChIKeyMEOHXRKWQKKKLK-UHFFFAOYSA-N
XLogP2.85
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1H-indol-2-yl)ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97096512
1-[2-(1H-indol-2-yl)ethyl]-3-propan-2-ylurea
CID 75385727
1-[2-(1H-indol-2-yl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 71913118
1-[(2S)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 97096543
N-[2-(1H-indol-2-yl)ethyl]acetamide
CID 10465460
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566580
1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide
CID 166219715
1-(3-ethyl-2-hydroxypentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566590
3-[2-(1H-indol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122065768
2-amino-N-[3-(1H-indol-2-yl)propyl]butanamide
CID 67236347
1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566439
1-[2-(1H-indol-2-yl)ethyl]-3-naphthalen-1-ylurea
CID 6456936

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The IUPAC name of 1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea (CID 71913106) is 1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea.
What is the SMILES notation for 1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The canonical SMILES for 1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea is CCC(NC(=O)NCCc1cc2ccccc2[nH]1)c1noc(C)n1.
What is the InChIKey of 1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The InChIKey is MEOHXRKWQKKKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-3-14(16-19-11(2)24-22-16)21-17(23)18-9-8-13-10-12-6-4-5-7-15(12)20-13/h4-7,10,14,20H,3,8-9H2,1-2H3,(H2,18,21,23).
What are the key properties of 1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea has a molecular weight of 327.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea is sourced from PubChem (CID 71913106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).