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

C18H18N4O2 — CID 95321368

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)-3-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCc1noc([C@@H](C)NC(=O)Nc2ccc3c4c(cccc24)CC3)n1
InChIInChI=1S/C18H18N4O2/c1-10(17-20-11(2)22-24-17)19-18(23)21-15-9-8-13-7-6-12-4-3-5-14(15)16(12)13/h3-5,8-10H,6-7H2,1-2H3,(H2,19,21,23)/t10-/m1/s1
InChIKeyTVWYLVPVOMSTBF-SNVBAGLBSA-N
MW322.37 g/mol
LogP3.51
Rot. Bonds3

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

1-(1,2-dihydroacenaphthylen-5-yl)-3-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 95321368) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-5-yl)-3-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)-3-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
PubChem CID95321368
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)-3-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCc1noc([C@@H](C)NC(=O)Nc2ccc3c4c(cccc24)CC3)n1
InChIInChI=1S/C18H18N4O2/c1-10(17-20-11(2)22-24-17)19-18(23)21-15-9-8-13-7-6-12-4-3-5-14(15)16(12)13/h3-5,8-10H,6-7H2,1-2H3,(H2,19,21,23)/t10-/m1/s1
InChIKeyTVWYLVPVOMSTBF-SNVBAGLBSA-N
XLogP3.51
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methyl-4-propan-2-yloxyphenyl)urea
CID 95307029
1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 95619095
(1S)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95317200
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 146083478
(2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(dimethylamino)-2-phenylacetamide
CID 100565265
N-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide
CID 134031739
N-(1,2-dihydroacenaphthylen-5-yl)-5-methylpyrazine-2-carboxamide
CID 18122028
N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide
CID 111121529
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1,2-dihydroacenaphthylene-5-carboxylate
CID 18147584
1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 164634001
N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2,2-dimethylpropanamide
CID 17099764
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 34573149

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-3-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-3-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea (CID 95321368) is 1-(1,2-dihydroacenaphthylen-5-yl)-3-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)-3-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)-3-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea is Cc1noc([C@@H](C)NC(=O)Nc2ccc3c4c(cccc24)CC3)n1.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)-3-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The InChIKey is TVWYLVPVOMSTBF-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-10(17-20-11(2)22-24-17)19-18(23)21-15-9-8-13-7-6-12-4-3-5-14(15)16(12)13/h3-5,8-10H,6-7H2,1-2H3,(H2,19,21,23)/t10-/m1/s1.
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)-3-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
1-(1,2-dihydroacenaphthylen-5-yl)-3-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 322.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroacenaphthylen-5-yl)-3-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 95321368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).