1-(1,3-benzoxazol-6-ylmethyl)-1,3-dimethylurea

C11H13N3O2 — CID 115169274

IUPAC1-(1,3-benzoxazol-6-ylmethyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)Cc1ccc2ncoc2c1
InChIInChI=1S/C11H13N3O2/c1-12-11(15)14(2)6-8-3-4-9-10(5-8)16-7-13-9/h3-5,7H,6H2,1-2H3,(H,12,15)
InChIKeyIZYVUESTHJLKBY-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.60
Rot. Bonds2

About 1-(1,3-benzoxazol-6-ylmethyl)-1,3-dimethylurea

1-(1,3-benzoxazol-6-ylmethyl)-1,3-dimethylurea (PubChem CID 115169274) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-6-ylmethyl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-(1,3-benzoxazol-6-ylmethyl)-1,3-dimethylurea
PubChem CID115169274
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-(1,3-benzoxazol-6-ylmethyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)Cc1ccc2ncoc2c1
InChIInChI=1S/C11H13N3O2/c1-12-11(15)14(2)6-8-3-4-9-10(5-8)16-7-13-9/h3-5,7H,6H2,1-2H3,(H,12,15)
InChIKeyIZYVUESTHJLKBY-UHFFFAOYSA-N
XLogP1.60
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzoxazol-6-ylmethyl)-N-methyl-3-(methylamino)propanamide
CID 115153296
methyl 2-[1,3-benzoxazol-6-ylmethyl(methyl)amino]-2-oxoacetate
CID 115142491
3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N,2,2-trimethylpropanamide
CID 115154699
3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N-methylbutanamide
CID 115154285
N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 115152114
1-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylurea
CID 115169389
2-[1,3-benzoxazol-6-ylmethyl(methyl)amino]cyclopropane-1-carboxylic acid
CID 117042722
5-[1,3-benzoxazol-6-ylmethyl(methyl)amino]pentan-2-one
CID 115236616
N-[2-(1,3-benzoxazol-6-yl)ethyl]-1-cyano-N-methylformamide
CID 115172688
3-(1,3-benzoxazol-6-yl)-N-methylpropanehydrazide
CID 116845001
2-(1,3-benzoxazol-6-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 110771869
3-amino-4-[1,3-benzoxazol-6-ylmethyl(methyl)amino]butanoic acid
CID 115241766

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-6-ylmethyl)-1,3-dimethylurea?
The IUPAC name of 1-(1,3-benzoxazol-6-ylmethyl)-1,3-dimethylurea (CID 115169274) is 1-(1,3-benzoxazol-6-ylmethyl)-1,3-dimethylurea.
What is the SMILES notation for 1-(1,3-benzoxazol-6-ylmethyl)-1,3-dimethylurea?
The canonical SMILES for 1-(1,3-benzoxazol-6-ylmethyl)-1,3-dimethylurea is CNC(=O)N(C)Cc1ccc2ncoc2c1.
What is the InChIKey of 1-(1,3-benzoxazol-6-ylmethyl)-1,3-dimethylurea?
The InChIKey is IZYVUESTHJLKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-12-11(15)14(2)6-8-3-4-9-10(5-8)16-7-13-9/h3-5,7H,6H2,1-2H3,(H,12,15).
What are the key properties of 1-(1,3-benzoxazol-6-ylmethyl)-1,3-dimethylurea?
1-(1,3-benzoxazol-6-ylmethyl)-1,3-dimethylurea has a molecular weight of 219.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-6-ylmethyl)-1,3-dimethylurea is sourced from PubChem (CID 115169274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).