1-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea

C18H24N4O3 — CID 97157377

IUPAC1-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea
SMILESCCO[C@H](C)c1noc(CNC(=O)NC2(C)Cc3ccccc3C2)n1
InChIInChI=1S/C18H24N4O3/c1-4-24-12(2)16-20-15(25-22-16)11-19-17(23)21-18(3)9-13-7-5-6-8-14(13)10-18/h5-8,12H,4,9-11H2,1-3H3,(H2,19,21,23)/t12-/m1/s1
InChIKeyFNWROQLLLIFERO-GFCCVEGCSA-N
MW344.42 g/mol
LogP2.52
Rot. Bonds6

About 1-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea

1-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea (PubChem CID 97157377) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea.

Molecular Properties

Compound Name1-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea
PubChem CID97157377
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea
SMILESCCO[C@H](C)c1noc(CNC(=O)NC2(C)Cc3ccccc3C2)n1
InChIInChI=1S/C18H24N4O3/c1-4-24-12(2)16-20-15(25-22-16)11-19-17(23)21-18(3)9-13-7-5-6-8-14(13)10-18/h5-8,12H,4,9-11H2,1-3H3,(H2,19,21,23)/t12-/m1/s1
InChIKeyFNWROQLLLIFERO-GFCCVEGCSA-N
XLogP2.52
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 97324930
2,6-dichloro-N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 96523969
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]urea
CID 95975973
N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 95985146
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111511387
1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111513626
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 64539019
(4aR,7aR)-N-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 100895387
1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111511704
1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111516376
1-butan-2-yl-3-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylguanidine;hydroiodide
CID 111492117
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methyl-4-(3-methylphenyl)piperazine-1-carboximidamide
CID 111520975

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea?
The IUPAC name of 1-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea (CID 97157377) is 1-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea.
What is the SMILES notation for 1-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea?
The canonical SMILES for 1-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea is CCO[C@H](C)c1noc(CNC(=O)NC2(C)Cc3ccccc3C2)n1.
What is the InChIKey of 1-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea?
The InChIKey is FNWROQLLLIFERO-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-4-24-12(2)16-20-15(25-22-16)11-19-17(23)21-18(3)9-13-7-5-6-8-14(13)10-18/h5-8,12H,4,9-11H2,1-3H3,(H2,19,21,23)/t12-/m1/s1.
What are the key properties of 1-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea?
1-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea has a molecular weight of 344.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea is sourced from PubChem (CID 97157377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).