1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea

C18H19N3O3 — CID 110776292

IUPAC1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea
SMILESCn1c(=O)oc2cc(CCNC(=O)NCc3ccccc3)ccc21
InChIInChI=1S/C18H19N3O3/c1-21-15-8-7-13(11-16(15)24-18(21)23)9-10-19-17(22)20-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H2,19,20,22)
InChIKeyMTQMOPSGHHTESY-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.17
Rot. Bonds5

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

1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea (PubChem CID 110776292) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea
PubChem CID110776292
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea
SMILESCn1c(=O)oc2cc(CCNC(=O)NCc3ccccc3)ccc21
InChIInChI=1S/C18H19N3O3/c1-21-15-8-7-13(11-16(15)24-18(21)23)9-10-19-17(22)20-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H2,19,20,22)
InChIKeyMTQMOPSGHHTESY-UHFFFAOYSA-N
XLogP2.17
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-3-phenylurea
CID 110776289
N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766483
2-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 115162152
1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-phenylurea
CID 110776299
2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methylamino]-2-oxoacetic acid
CID 115141348
1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-propylurea
CID 110776303
3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methylamino]-3-oxopropanoic acid
CID 115163423
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]cyclopropanecarboxamide
CID 110792130
N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-2-oxopropanamide
CID 115175681
1-amino-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]urea
CID 115192957
3-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]benzamide
CID 110792162
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]pyridine-3-carboxamide
CID 110792165

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea?
The IUPAC name of 1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea (CID 110776292) is 1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea is Cn1c(=O)oc2cc(CCNC(=O)NCc3ccccc3)ccc21.
What is the InChIKey of 1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea?
The InChIKey is MTQMOPSGHHTESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-21-15-8-7-13(11-16(15)24-18(21)23)9-10-19-17(22)20-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H2,19,20,22).
What are the key properties of 1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea?
1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea has a molecular weight of 325.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea is sourced from PubChem (CID 110776292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).