1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylurea

C16H15N3O2 — CID 126146253

IUPAC1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylurea
SMILESCc1nc2cc(NC(=O)N(C)c3ccccc3)ccc2o1
InChIInChI=1S/C16H15N3O2/c1-11-17-14-10-12(8-9-15(14)21-11)18-16(20)19(2)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,20)
InChIKeyCEXQOOXNIOLHAU-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.80
Rot. Bonds2

About 1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylurea

1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylurea (PubChem CID 126146253) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylurea.

Molecular Properties

Compound Name1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylurea
PubChem CID126146253
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylurea
SMILESCc1nc2cc(NC(=O)N(C)c3ccccc3)ccc2o1
InChIInChI=1S/C16H15N3O2/c1-11-17-14-10-12(8-9-15(14)21-11)18-16(20)19(2)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,20)
InChIKeyCEXQOOXNIOLHAU-UHFFFAOYSA-N
XLogP3.80
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-naphthalen-2-ylurea
CID 893610
N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybenzamide
CID 30035454
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
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
1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea
CID 126141306
2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoylamino]acetic acid
CID 82498910
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736
5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide
CID 9490444
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate
CID 65142575

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylurea?
The IUPAC name of 1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylurea (CID 126146253) is 1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylurea.
What is the SMILES notation for 1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylurea?
The canonical SMILES for 1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylurea is Cc1nc2cc(NC(=O)N(C)c3ccccc3)ccc2o1.
What is the InChIKey of 1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylurea?
The InChIKey is CEXQOOXNIOLHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-17-14-10-12(8-9-15(14)21-11)18-16(20)19(2)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,20).
What are the key properties of 1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylurea?
1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylurea has a molecular weight of 281.31 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylurea is sourced from PubChem (CID 126146253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).