3,5-dimethyl-4-[[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole

C19H17N5O — CID 28955241

IUPAC3,5-dimethyl-4-[[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1Cn1ccc(-c2cccc(-c3cncnc3)c2)n1
InChIInChI=1S/C19H17N5O/c1-13-18(14(2)25-23-13)11-24-7-6-19(22-24)16-5-3-4-15(8-16)17-9-20-12-21-10-17/h3-10,12H,11H2,1-2H3
InChIKeySFUIZCSPQUICQG-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.66
Rot. Bonds4

About 3,5-dimethyl-4-[[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole

3,5-dimethyl-4-[[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole (PubChem CID 28955241) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole
PubChem CID28955241
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name3,5-dimethyl-4-[[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1Cn1ccc(-c2cccc(-c3cncnc3)c2)n1
InChIInChI=1S/C19H17N5O/c1-13-18(14(2)25-23-13)11-24-7-6-19(22-24)16-5-3-4-15(8-16)17-9-20-12-21-10-17/h3-10,12H,11H2,1-2H3
InChIKeySFUIZCSPQUICQG-UHFFFAOYSA-N
XLogP3.66
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-4-[[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N~2~-[(3-Methyl-1,2-Oxazol-5-Yl)methyl]-N~4~-[5-(2-Phenylethyl)-1h-Pyrazol-3-Yl]pyrimidine-2,4-Diamine
CID 60154330
3,5-Dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]isoxazole
CID 3011485
5-Bromo-N~2~-[(3-Methyl-1,2-Oxazol-5-Yl)methyl]-N~4~-[3-(2-Phenylethyl)-1h-Pyrazol-5-Yl]pyrimidine-2,4-Diamine
CID 56973550
1-Benzyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 126592025
3-Methyl-5-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole
CID 45488521
N'-[3-(3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
CID 72546472
US11214563, Example 40
CID 155387048
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine
CID 3235051
N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine
CID 3235513
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
CID 42397256
3-Methyl-5-(4-propan-2-yl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole
CID 73945339
5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 92410671

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole (CID 28955241) is 3,5-dimethyl-4-[[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole is Cc1noc(C)c1Cn1ccc(-c2cccc(-c3cncnc3)c2)n1.
What is the InChIKey of 3,5-dimethyl-4-[[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is SFUIZCSPQUICQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-13-18(14(2)25-23-13)11-24-7-6-19(22-24)16-5-3-4-15(8-16)17-9-20-12-21-10-17/h3-10,12H,11H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 331.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 28955241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).