1-[3-(2-ethylimidazol-1-yl)propyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea

C18H23N5O3 — CID 74239820

IUPAC1-[3-(2-ethylimidazol-1-yl)propyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
SMILESCCc1nccn1CCCNC(=O)Nc1ccc2c(c1)oc(=O)n2CC
InChIInChI=1S/C18H23N5O3/c1-3-16-19-9-11-22(16)10-5-8-20-17(24)21-13-6-7-14-15(12-13)26-18(25)23(14)4-2/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H2,20,21,24)
InChIKeyMFLMINPAYYSDDB-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.59
Rot. Bonds7

About 1-[3-(2-ethylimidazol-1-yl)propyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea

1-[3-(2-ethylimidazol-1-yl)propyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea (PubChem CID 74239820) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[3-(2-ethylimidazol-1-yl)propyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-[3-(2-ethylimidazol-1-yl)propyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
PubChem CID74239820
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name1-[3-(2-ethylimidazol-1-yl)propyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
SMILESCCc1nccn1CCCNC(=O)Nc1ccc2c(c1)oc(=O)n2CC
InChIInChI=1S/C18H23N5O3/c1-3-16-19-9-11-22(16)10-5-8-20-17(24)21-13-6-7-14-15(12-13)26-18(25)23(14)4-2/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H2,20,21,24)
InChIKeyMFLMINPAYYSDDB-UHFFFAOYSA-N
XLogP2.59
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea
CID 125179364
2-chloro-4-[3-(2-ethylimidazol-1-yl)propylcarbamoylamino]benzamide
CID 118782102
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea
CID 50796887
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 118773217
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 72924769
1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 50796856
1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 118779170
1-[2-(2-ethylimidazol-1-yl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 118777639
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 50796782
1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50744018
N-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide
CID 13371088
1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50796890

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylimidazol-1-yl)propyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-[3-(2-ethylimidazol-1-yl)propyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea (CID 74239820) is 1-[3-(2-ethylimidazol-1-yl)propyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-[3-(2-ethylimidazol-1-yl)propyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-[3-(2-ethylimidazol-1-yl)propyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea is CCc1nccn1CCCNC(=O)Nc1ccc2c(c1)oc(=O)n2CC.
What is the InChIKey of 1-[3-(2-ethylimidazol-1-yl)propyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The InChIKey is MFLMINPAYYSDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-3-16-19-9-11-22(16)10-5-8-20-17(24)21-13-6-7-14-15(12-13)26-18(25)23(14)4-2/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[3-(2-ethylimidazol-1-yl)propyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea?
1-[3-(2-ethylimidazol-1-yl)propyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea has a molecular weight of 357.41 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylimidazol-1-yl)propyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 74239820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).