1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea

C15H16N6O2 — CID 75433856

IUPAC1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea
SMILESCc1nc(C)n(-c2ccccc2NC(=O)NCc2ccon2)n1
InChIInChI=1S/C15H16N6O2/c1-10-17-11(2)21(19-10)14-6-4-3-5-13(14)18-15(22)16-9-12-7-8-23-20-12/h3-8H,9H2,1-2H3,(H2,16,18,22)
InChIKeyOYBFPOQAKDPJDB-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.19
Rot. Bonds4

About 1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea

1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea (PubChem CID 75433856) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea
PubChem CID75433856
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea
SMILESCc1nc(C)n(-c2ccccc2NC(=O)NCc2ccon2)n1
InChIInChI=1S/C15H16N6O2/c1-10-17-11(2)21(19-10)14-6-4-3-5-13(14)18-15(22)16-9-12-7-8-23-20-12/h3-8H,9H2,1-2H3,(H2,16,18,22)
InChIKeyOYBFPOQAKDPJDB-UHFFFAOYSA-N
XLogP2.19
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-cyclopropylethyl)-3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]urea
CID 84590782
1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 71847782
3-[2-(1,2-oxazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid
CID 107274113
1-(1,2-oxazol-3-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 118785680
3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
CID 75433860
1-(1,2-oxazol-3-ylmethyl)-3-propylurea
CID 115672343
3-methyl-2-(1,2-oxazol-3-ylmethylcarbamoylamino)benzoic acid
CID 81177115
1-amino-3-(1,2-oxazol-3-ylmethyl)urea
CID 81177768
ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate
CID 79493406
2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide
CID 81177144
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 56862333
N-(2-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
CID 81177334

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The IUPAC name of 1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea (CID 75433856) is 1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The canonical SMILES for 1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea is Cc1nc(C)n(-c2ccccc2NC(=O)NCc2ccon2)n1.
What is the InChIKey of 1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The InChIKey is OYBFPOQAKDPJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-10-17-11(2)21(19-10)14-6-4-3-5-13(14)18-15(22)16-9-12-7-8-23-20-12/h3-8H,9H2,1-2H3,(H2,16,18,22).
What are the key properties of 1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea?
1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea has a molecular weight of 312.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea is sourced from PubChem (CID 75433856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).