1-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3-(2-propan-2-ylindazol-5-yl)urea

C17H21N5O2 — CID 71970215

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3-(2-propan-2-ylindazol-5-yl)urea
SMILESCc1noc(C)c1N(C)C(=O)Nc1ccc2nn(C(C)C)cc2c1
InChIInChI=1S/C17H21N5O2/c1-10(2)22-9-13-8-14(6-7-15(13)19-22)18-17(23)21(5)16-11(3)20-24-12(16)4/h6-10H,1-5H3,(H,18,23)
InChIKeyAEQUUMFNDZPJTG-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.89
Rot. Bonds3

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3-(2-propan-2-ylindazol-5-yl)urea

1-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3-(2-propan-2-ylindazol-5-yl)urea (PubChem CID 71970215) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3-(2-propan-2-ylindazol-5-yl)urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3-(2-propan-2-ylindazol-5-yl)urea
PubChem CID71970215
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3-(2-propan-2-ylindazol-5-yl)urea
SMILESCc1noc(C)c1N(C)C(=O)Nc1ccc2nn(C(C)C)cc2c1
InChIInChI=1S/C17H21N5O2/c1-10(2)22-9-13-8-14(6-7-15(13)19-22)18-17(23)21(5)16-11(3)20-24-12(16)4/h6-10H,1-5H3,(H,18,23)
InChIKeyAEQUUMFNDZPJTG-UHFFFAOYSA-N
XLogP3.89
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3-(2-propan-2-ylindazol-5-yl)urea?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3-(2-propan-2-ylindazol-5-yl)urea (CID 71970215) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3-(2-propan-2-ylindazol-5-yl)urea.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3-(2-propan-2-ylindazol-5-yl)urea?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3-(2-propan-2-ylindazol-5-yl)urea is Cc1noc(C)c1N(C)C(=O)Nc1ccc2nn(C(C)C)cc2c1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3-(2-propan-2-ylindazol-5-yl)urea?
The InChIKey is AEQUUMFNDZPJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-10(2)22-9-13-8-14(6-7-15(13)19-22)18-17(23)21(5)16-11(3)20-24-12(16)4/h6-10H,1-5H3,(H,18,23).
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3-(2-propan-2-ylindazol-5-yl)urea?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3-(2-propan-2-ylindazol-5-yl)urea has a molecular weight of 327.39 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3-(2-propan-2-ylindazol-5-yl)urea is sourced from PubChem (CID 71970215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).