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

C18H19N3O4 — CID 111120714

IUPAC1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
SMILESCc1ccccc1C(O)CNC(=O)Nc1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C18H19N3O4/c1-11-5-3-4-6-13(11)15(22)10-19-17(23)20-12-7-8-14-16(9-12)25-18(24)21(14)2/h3-9,15,22H,10H2,1-2H3,(H2,19,20,23)
InChIKeyJHYYBQZKSIAJMT-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.30
Rot. Bonds4

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

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea (PubChem CID 111120714) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
PubChem CID111120714
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
SMILESCc1ccccc1C(O)CNC(=O)Nc1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C18H19N3O4/c1-11-5-3-4-6-13(11)15(22)10-19-17(23)20-12-7-8-14-16(9-12)25-18(24)21(14)2/h3-9,15,22H,10H2,1-2H3,(H2,19,20,23)
InChIKeyJHYYBQZKSIAJMT-UHFFFAOYSA-N
XLogP2.30
TPSA96.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 53007873
1-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 111335653
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 167238820
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea
CID 111120381
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 111474627
1-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-3-phenylurea
CID 110776289
1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497477
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)acetamide
CID 110662181
1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 72902943
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]oxamide
CID 96530973
2-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide
CID 119312613

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea (CID 111120714) is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea is Cc1ccccc1C(O)CNC(=O)Nc1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The InChIKey is JHYYBQZKSIAJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-11-5-3-4-6-13(11)15(22)10-19-17(23)20-12-7-8-14-16(9-12)25-18(24)21(14)2/h3-9,15,22H,10H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea?
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea has a molecular weight of 341.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 111120714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).