1-[2-(cyclohexen-1-yl)ethyl]-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea

C18H23N3O2 — CID 20901467

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea
SMILESCc1ccc2onc(CNC(=O)NCCC3=CCCCC3)c2c1
InChIInChI=1S/C18H23N3O2/c1-13-7-8-17-15(11-13)16(21-23-17)12-20-18(22)19-10-9-14-5-3-2-4-6-14/h5,7-8,11H,2-4,6,9-10,12H2,1H3,(H2,19,20,22)
InChIKeyCXMUBHQVWDQLQX-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.83
Rot. Bonds5

About 1-[2-(cyclohexen-1-yl)ethyl]-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea

1-[2-(cyclohexen-1-yl)ethyl]-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea (PubChem CID 20901467) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea
PubChem CID20901467
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea
SMILESCc1ccc2onc(CNC(=O)NCCC3=CCCCC3)c2c1
InChIInChI=1S/C18H23N3O2/c1-13-7-8-17-15(11-13)16(21-23-17)12-20-18(22)19-10-9-14-5-3-2-4-6-14/h5,7-8,11H,2-4,6,9-10,12H2,1H3,(H2,19,20,22)
InChIKeyCXMUBHQVWDQLQX-UHFFFAOYSA-N
XLogP3.83
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,5-dimethylphenoxy)ethyl]urea
CID 112973432
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108942886
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 92682179
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973607
N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110849144
N-[2-(cyclohexen-1-yl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108943052
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
CID 71894588
1-[2-(cyclohexen-1-yl)ethyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30312311
5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 18286511
N-[2-(cyclohexen-1-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 27666383
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2-methylphenoxy)ethyl]urea
CID 60547483

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea (CID 20901467) is 1-[2-(cyclohexen-1-yl)ethyl]-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea is Cc1ccc2onc(CNC(=O)NCCC3=CCCCC3)c2c1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea?
The InChIKey is CXMUBHQVWDQLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-7-8-17-15(11-13)16(21-23-17)12-20-18(22)19-10-9-14-5-3-2-4-6-14/h5,7-8,11H,2-4,6,9-10,12H2,1H3,(H2,19,20,22).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea?
1-[2-(cyclohexen-1-yl)ethyl]-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea has a molecular weight of 313.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea is sourced from PubChem (CID 20901467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).