1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-naphthalen-2-ylurea

C20H17N3O2 — CID 893610

IUPAC1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-naphthalen-2-ylurea
SMILESCc1nc2cc(NC(=O)N(C)c3ccc4ccccc4c3)ccc2o1
InChIInChI=1S/C20H17N3O2/c1-13-21-18-12-16(8-10-19(18)25-13)22-20(24)23(2)17-9-7-14-5-3-4-6-15(14)11-17/h3-12H,1-2H3,(H,22,24)
InChIKeyWVFPLVHYQKUNBE-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.96
Rot. Bonds2

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

1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-naphthalen-2-ylurea (PubChem CID 893610) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-naphthalen-2-ylurea
PubChem CID893610
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-naphthalen-2-ylurea
SMILESCc1nc2cc(NC(=O)N(C)c3ccc4ccccc4c3)ccc2o1
InChIInChI=1S/C20H17N3O2/c1-13-21-18-12-16(8-10-19(18)25-13)22-20(24)23(2)17-9-7-14-5-3-4-6-15(14)11-17/h3-12H,1-2H3,(H,22,24)
InChIKeyWVFPLVHYQKUNBE-UHFFFAOYSA-N
XLogP4.96
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.96
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-phenylurea
CID 126146253
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
N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-oxoacetamide
CID 115166115
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
2,5-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
2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 115152327

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-naphthalen-2-ylurea?
The IUPAC name of 1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-naphthalen-2-ylurea (CID 893610) is 1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-naphthalen-2-ylurea.
What is the SMILES notation for 1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-naphthalen-2-ylurea?
The canonical SMILES for 1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-naphthalen-2-ylurea is Cc1nc2cc(NC(=O)N(C)c3ccc4ccccc4c3)ccc2o1.
What is the InChIKey of 1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-naphthalen-2-ylurea?
The InChIKey is WVFPLVHYQKUNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-13-21-18-12-16(8-10-19(18)25-13)22-20(24)23(2)17-9-7-14-5-3-4-6-15(14)11-17/h3-12H,1-2H3,(H,22,24).
What are the key properties of 1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-naphthalen-2-ylurea?
1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-naphthalen-2-ylurea has a molecular weight of 331.38 g/mol, XLogP of 4.96, 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-naphthalen-2-ylurea is sourced from PubChem (CID 893610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).