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

C18H20N4O3 — CID 95351009

IUPAC1-[(2-methoxynaphthalen-1-yl)methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCOc1ccc2ccccc2c1CNC(=O)N[C@@H](C)c1nc(C)no1
InChIInChI=1S/C18H20N4O3/c1-11(17-21-12(2)22-25-17)20-18(23)19-10-15-14-7-5-4-6-13(14)8-9-16(15)24-3/h4-9,11H,10H2,1-3H3,(H2,19,20,23)/t11-/m0/s1
InChIKeyCCHFHFCZHLVTFH-NSHDSACASA-N
MW340.38 g/mol
LogP3.10
Rot. Bonds5

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

1-[(2-methoxynaphthalen-1-yl)methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 95351009) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[(2-methoxynaphthalen-1-yl)methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2-methoxynaphthalen-1-yl)methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
PubChem CID95351009
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-[(2-methoxynaphthalen-1-yl)methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCOc1ccc2ccccc2c1CNC(=O)N[C@@H](C)c1nc(C)no1
InChIInChI=1S/C18H20N4O3/c1-11(17-21-12(2)22-25-17)20-18(23)19-10-15-14-7-5-4-6-13(14)8-9-16(15)24-3/h4-9,11H,10H2,1-3H3,(H2,19,20,23)/t11-/m0/s1
InChIKeyCCHFHFCZHLVTFH-NSHDSACASA-N
XLogP3.10
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 95619095
3,4,5-trimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 94809095
4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride
CID 120559869
1-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 167881325
methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate
CID 60780634
(2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119709365
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 42934544
2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide
CID 119281603
1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 95290615
2-(2-ethylphenoxy)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 94820638
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]butanamide
CID 55828587
N-[(2-methoxynaphthalen-1-yl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119709351

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxynaphthalen-1-yl)methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The IUPAC name of 1-[(2-methoxynaphthalen-1-yl)methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea (CID 95351009) is 1-[(2-methoxynaphthalen-1-yl)methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-[(2-methoxynaphthalen-1-yl)methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-[(2-methoxynaphthalen-1-yl)methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea is COc1ccc2ccccc2c1CNC(=O)N[C@@H](C)c1nc(C)no1.
What is the InChIKey of 1-[(2-methoxynaphthalen-1-yl)methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The InChIKey is CCHFHFCZHLVTFH-NSHDSACASA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11(17-21-12(2)22-25-17)20-18(23)19-10-15-14-7-5-4-6-13(14)8-9-16(15)24-3/h4-9,11H,10H2,1-3H3,(H2,19,20,23)/t11-/m0/s1.
What are the key properties of 1-[(2-methoxynaphthalen-1-yl)methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
1-[(2-methoxynaphthalen-1-yl)methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 340.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxynaphthalen-1-yl)methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 95351009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).