1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]propan-2-one

C12H15N3O2 — CID 148782583

IUPAC1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]propan-2-one
SMILESCC(=O)Cc1ccn(Cc2c(C)noc2C)n1
InChIInChI=1S/C12H15N3O2/c1-8(16)6-11-4-5-15(13-11)7-12-9(2)14-17-10(12)3/h4-5H,6-7H2,1-3H3
InChIKeyOKPDHIIRKFZYPX-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.67
Rot. Bonds4

About 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]propan-2-one

1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]propan-2-one (PubChem CID 148782583) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]propan-2-one
PubChem CID148782583
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]propan-2-one
SMILESCC(=O)Cc1ccn(Cc2c(C)noc2C)n1
InChIInChI=1S/C12H15N3O2/c1-8(16)6-11-4-5-15(13-11)7-12-9(2)14-17-10(12)3/h4-5H,6-7H2,1-3H3
InChIKeyOKPDHIIRKFZYPX-UHFFFAOYSA-N
XLogP1.67
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,2-oxazole
CID 56787269
1-[1-[(6-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]propan-2-one
CID 147327826
methyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-triazole-3-carboxylate
CID 78955668
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[3-(1H-pyrrol-3-yl)oxiran-2-yl]pyrazol-3-amine
CID 123386935
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-pyridin-3-yloxiran-2-yl)pyrazol-3-amine
CID 123705639
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]methanamine
CID 62055899
(E)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-2-yl]prop-2-enoic acid
CID 39150689
(E)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]prop-2-enoic acid
CID 122240811
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one
CID 115679422
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-iodopyrazol-4-yl]pyridine-2-carboxamide
CID 68746100
4-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443791
N-[(1-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19492397

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]propan-2-one?
The IUPAC name of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]propan-2-one (CID 148782583) is 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]propan-2-one.
What is the SMILES notation for 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]propan-2-one?
The canonical SMILES for 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]propan-2-one is CC(=O)Cc1ccn(Cc2c(C)noc2C)n1.
What is the InChIKey of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]propan-2-one?
The InChIKey is OKPDHIIRKFZYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(16)6-11-4-5-15(13-11)7-12-9(2)14-17-10(12)3/h4-5H,6-7H2,1-3H3.
What are the key properties of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]propan-2-one?
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]propan-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]propan-2-one is sourced from PubChem (CID 148782583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).