1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea

C19H20N4O2 — CID 71864877

IUPAC1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCCc1ccccc1CNC(=O)Nc1ccc(-c2nnc(C)o2)cc1
InChIInChI=1S/C19H20N4O2/c1-3-14-6-4-5-7-16(14)12-20-19(24)21-17-10-8-15(9-11-17)18-23-22-13(2)25-18/h4-11H,3,12H2,1-2H3,(H2,20,21,24)
InChIKeySMESENZDDUGYGE-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.93
Rot. Bonds5

About 1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea

1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea (PubChem CID 71864877) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
PubChem CID71864877
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCCc1ccccc1CNC(=O)Nc1ccc(-c2nnc(C)o2)cc1
InChIInChI=1S/C19H20N4O2/c1-3-14-6-4-5-7-16(14)12-20-19(24)21-17-10-8-15(9-11-17)18-23-22-13(2)25-18/h4-11H,3,12H2,1-2H3,(H2,20,21,24)
InChIKeySMESENZDDUGYGE-UHFFFAOYSA-N
XLogP3.93
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-phenylacetamide
CID 110725539
1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50827438
2-amino-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 164831396
1-(4-hydroxy-2,2-dimethylpentyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 71981490
1-(5-hydroxy-4,4-dimethylpentyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 111618292
1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318453
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234
2-(2-methoxyphenoxy)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 25284211
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97009416
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111618143
N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-3-ylmethyl)oxamide
CID 51044362
N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide
CID 124575491

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The IUPAC name of 1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea (CID 71864877) is 1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea is CCc1ccccc1CNC(=O)Nc1ccc(-c2nnc(C)o2)cc1.
What is the InChIKey of 1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The InChIKey is SMESENZDDUGYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-14-6-4-5-7-16(14)12-20-19(24)21-17-10-8-15(9-11-17)18-23-22-13(2)25-18/h4-11H,3,12H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea has a molecular weight of 336.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea is sourced from PubChem (CID 71864877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).