1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea

C17H17N3O2 — CID 126141306

IUPAC1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea
SMILESCc1nc2cc(NC(=O)Nc3ccc(C)c(C)c3)ccc2o1
InChIInChI=1S/C17H17N3O2/c1-10-4-5-13(8-11(10)2)19-17(21)20-14-6-7-16-15(9-14)18-12(3)22-16/h4-9H,1-3H3,(H2,19,20,21)
InChIKeyPIAXWDQMCRRMDM-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.40
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea

1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea (PubChem CID 126141306) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea
PubChem CID126141306
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea
SMILESCc1nc2cc(NC(=O)Nc3ccc(C)c(C)c3)ccc2o1
InChIInChI=1S/C17H17N3O2/c1-10-4-5-13(8-11(10)2)19-17(21)20-14-6-7-16-15(9-14)18-12(3)22-16/h4-9H,1-3H3,(H2,19,20,21)
InChIKeyPIAXWDQMCRRMDM-UHFFFAOYSA-N
XLogP4.40
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoylamino]acetic acid
CID 82498910
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 61292124
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 26715751
tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate
CID 65142575
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
3-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide;dihydrochloride
CID 120502568
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 81225184

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea (CID 126141306) is 1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea is Cc1nc2cc(NC(=O)Nc3ccc(C)c(C)c3)ccc2o1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea?
The InChIKey is PIAXWDQMCRRMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-10-4-5-13(8-11(10)2)19-17(21)20-14-6-7-16-15(9-14)18-12(3)22-16/h4-9H,1-3H3,(H2,19,20,21).
What are the key properties of 1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea?
1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea has a molecular weight of 295.34 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea is sourced from PubChem (CID 126141306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).