1-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]-3-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea

C17H26N4O3S — CID 126447689

IUPAC1-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]-3-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCOCCN(Cc1sccc1C)C(=O)N[C@@H](C)c1nc(C(C)C)no1
InChIInChI=1S/C17H26N4O3S/c1-11(2)15-19-16(24-20-15)13(4)18-17(22)21(7-8-23-5)10-14-12(3)6-9-25-14/h6,9,11,13H,7-8,10H2,1-5H3,(H,18,22)/t13-/m0/s1
InChIKeyRPWIJURHYBGKBB-ZDUSSCGKSA-N
MW366.49 g/mol
LogP3.48
Rot. Bonds8

About 1-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]-3-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea

1-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]-3-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 126447689) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]-3-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]-3-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
PubChem CID126447689
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name1-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]-3-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCOCCN(Cc1sccc1C)C(=O)N[C@@H](C)c1nc(C(C)C)no1
InChIInChI=1S/C17H26N4O3S/c1-11(2)15-19-16(24-20-15)13(4)18-17(22)21(7-8-23-5)10-14-12(3)6-9-25-14/h6,9,11,13H,7-8,10H2,1-5H3,(H,18,22)/t13-/m0/s1
InChIKeyRPWIJURHYBGKBB-ZDUSSCGKSA-N
XLogP3.48
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 46996185
2-[2-methoxyethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 106389409
N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 99942965
1-(2-methoxyethyl)-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(thiophen-2-ylmethyl)urea
CID 94120105
3-[(1S)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-1-(1H-pyrazol-5-ylmethyl)urea
CID 126427158
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 50975572
N-(2-methoxyethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 50955298
5-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 131900670
1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea
CID 86998774
N-(1,3-benzodioxol-5-ylmethyl)-2-[ethylcarbamoyl(2-methoxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3494368
N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine
CID 82712468
N-benzyl-2-[butylcarbamoyl(2-methoxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4687290

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]-3-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]-3-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (CID 126447689) is 1-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]-3-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]-3-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]-3-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is COCCN(Cc1sccc1C)C(=O)N[C@@H](C)c1nc(C(C)C)no1.
What is the InChIKey of 1-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]-3-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The InChIKey is RPWIJURHYBGKBB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-11(2)15-19-16(24-20-15)13(4)18-17(22)21(7-8-23-5)10-14-12(3)6-9-25-14/h6,9,11,13H,7-8,10H2,1-5H3,(H,18,22)/t13-/m0/s1.
What are the key properties of 1-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]-3-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
1-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]-3-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 366.49 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]-3-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 126447689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).