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

C19H19N5O — CID 171679195

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1cc(C)n(CC2CC(c3cccc(-c4cncnc4)c3)=NO2)n1
InChIInChI=1S/C19H19N5O/c1-13-6-14(2)24(22-13)11-18-8-19(23-25-18)16-5-3-4-15(7-16)17-9-20-12-21-10-17/h3-7,9-10,12,18H,8,11H2,1-2H3
InChIKeyZUKCUMBUGJANKQ-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.15
Rot. Bonds4

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

5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 171679195) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID171679195
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1cc(C)n(CC2CC(c3cccc(-c4cncnc4)c3)=NO2)n1
InChIInChI=1S/C19H19N5O/c1-13-6-14(2)24(22-13)11-18-8-19(23-25-18)16-5-3-4-15(7-16)17-9-20-12-21-10-17/h3-7,9-10,12,18H,8,11H2,1-2H3
InChIKeyZUKCUMBUGJANKQ-UHFFFAOYSA-N
XLogP3.15
TPSA65.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-2-ylphenyl)-4,5-dihydro-1,2-oxazole
CID 171679165
(5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 171679243
5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 171679157
(5R)-3-(2,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-4,5-dihydro-1,2-oxazole
CID 171679289
5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(4-fluoro-3-methylsulfonylphenyl)-4,5-dihydro-1,2-oxazole
CID 171679228
(5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(2-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole
CID 171679290
2-[3-(3-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine
CID 105456448
5-(2-methylphenyl)-1-[[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]pyrazole-3-carboxylic acid
CID 25102773
[3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 104823800
[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11390420
3-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)benzonitrile
CID 138691686
[3-(6-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 104823799

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,2-oxazole (CID 171679195) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,2-oxazole is Cc1cc(C)n(CC2CC(c3cccc(-c4cncnc4)c3)=NO2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is ZUKCUMBUGJANKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13-6-14(2)24(22-13)11-18-8-19(23-25-18)16-5-3-4-15(7-16)17-9-20-12-21-10-17/h3-7,9-10,12,18H,8,11H2,1-2H3.
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,2-oxazole?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 333.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 171679195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).