5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole

C10H13N3O — CID 58030269

IUPAC5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole
SMILESCC(C)c1c(-c2ccno2)cnn1C
InChIInChI=1S/C10H13N3O/c1-7(2)10-8(6-11-13(10)3)9-4-5-12-14-9/h4-7H,1-3H3
InChIKeyKMEAYWBKGXBESG-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.20
Rot. Bonds2

About 5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole

5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole (PubChem CID 58030269) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole
PubChem CID58030269
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole
SMILESCC(C)c1c(-c2ccno2)cnn1C
InChIInChI=1S/C10H13N3O/c1-7(2)10-8(6-11-13(10)3)9-4-5-12-14-9/h4-7H,1-3H3
InChIKeyKMEAYWBKGXBESG-UHFFFAOYSA-N
XLogP2.20
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580096
3-cyclohexyl-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580171
5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)-3-phenylisoxazole
CID 44580285
(3-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazol-5-yl)methanamine
CID 45602050
5-(bromomethyl)-3-(1,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole
CID 75356273
4-(3-Methyl-5-isoxazolyl)-1-phenyl-3-(4-fluoro-phenyl)pyrazole
CID 56730846
5-[(3,5-Dimethylpyrazol-1-yl)methyl]-3-phenyl-1,2-oxazole
CID 72003380
1-(5-isopropylisoxazol-3-yl)-N-methyl-N-[4-(1H-pyrazol-1-ylmethyl)benzyl]methanamine
CID 74231793
Cyclopropyl-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazol-4-yl]methanone
CID 53932542
5-[4-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-1,2-oxazole
CID 69395912
3-(1-Methyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole
CID 86684877
3-(4-fluorophenyl)-5-methyl-4-[(Z)-2-(1-methylpyrazol-3-yl)ethenyl]-1,2-oxazole
CID 141279437

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole?
The IUPAC name of 5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole (CID 58030269) is 5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole?
The canonical SMILES for 5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole is CC(C)c1c(-c2ccno2)cnn1C.
What is the InChIKey of 5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole?
The InChIKey is KMEAYWBKGXBESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7(2)10-8(6-11-13(10)3)9-4-5-12-14-9/h4-7H,1-3H3.
What are the key properties of 5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole?
5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole has a molecular weight of 191.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 58030269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).