1-(2-methyl-1,3-benzoxazol-6-yl)-3-phenylurea

C15H13N3O2 — CID 2824069

IUPAC1-(2-methyl-1,3-benzoxazol-6-yl)-3-phenylurea
SMILESCc1nc2ccc(NC(=O)Nc3ccccc3)cc2o1
InChIInChI=1S/C15H13N3O2/c1-10-16-13-8-7-12(9-14(13)20-10)18-15(19)17-11-5-3-2-4-6-11/h2-9H,1H3,(H2,17,18,19)
InChIKeyJTEGZLWUTKJLSC-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.78
Rot. Bonds2

About 1-(2-methyl-1,3-benzoxazol-6-yl)-3-phenylurea

1-(2-methyl-1,3-benzoxazol-6-yl)-3-phenylurea (PubChem CID 2824069) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(2-methyl-1,3-benzoxazol-6-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-methyl-1,3-benzoxazol-6-yl)-3-phenylurea
PubChem CID2824069
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name1-(2-methyl-1,3-benzoxazol-6-yl)-3-phenylurea
SMILESCc1nc2ccc(NC(=O)Nc3ccccc3)cc2o1
InChIInChI=1S/C15H13N3O2/c1-10-16-13-8-7-12(9-14(13)20-10)18-15(19)17-11-5-3-2-4-6-11/h2-9H,1H3,(H2,17,18,19)
InChIKeyJTEGZLWUTKJLSC-UHFFFAOYSA-N
XLogP3.78
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
L 696229
CID 72352
N-phenyl-1,3-benzoxazol-2-amine
CID 243391
6-Nitro-2-phenyl-1,3-benzoxazole
CID 3092936
5-Methoxy-1,3-benzoxazol-2-amine
CID 46387
Benzoxazole, 2-ethyl-
CID 23239
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
2-(4-Aminophenyl)-1,3-benzoxazol-6-amine
CID 542899
2-(1,3-benzoxazol-2-ylamino)-6-(methoxymethyl)pyrimidin-4(1H)-one
CID 135426496
N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)urea
CID 2824070
1-Piperidinecarboxamide, 4-(2-benzoxazolyl)-N-(2-methoxyphenyl)-
CID 1429829
N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea
CID 1472997

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-benzoxazol-6-yl)-3-phenylurea?
The IUPAC name of 1-(2-methyl-1,3-benzoxazol-6-yl)-3-phenylurea (CID 2824069) is 1-(2-methyl-1,3-benzoxazol-6-yl)-3-phenylurea.
What is the SMILES notation for 1-(2-methyl-1,3-benzoxazol-6-yl)-3-phenylurea?
The canonical SMILES for 1-(2-methyl-1,3-benzoxazol-6-yl)-3-phenylurea is Cc1nc2ccc(NC(=O)Nc3ccccc3)cc2o1.
What is the InChIKey of 1-(2-methyl-1,3-benzoxazol-6-yl)-3-phenylurea?
The InChIKey is JTEGZLWUTKJLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-16-13-8-7-12(9-14(13)20-10)18-15(19)17-11-5-3-2-4-6-11/h2-9H,1H3,(H2,17,18,19).
What are the key properties of 1-(2-methyl-1,3-benzoxazol-6-yl)-3-phenylurea?
1-(2-methyl-1,3-benzoxazol-6-yl)-3-phenylurea has a molecular weight of 267.29 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-benzoxazol-6-yl)-3-phenylurea is sourced from PubChem (CID 2824069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).