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

C18H23N3O — CID 171679290

IUPAC(5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(2-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1cc(C)n(C[C@H]2CC(c3ccccc3C(C)C)=NO2)n1
InChIInChI=1S/C18H23N3O/c1-12(2)16-7-5-6-8-17(16)18-10-15(22-20-18)11-21-14(4)9-13(3)19-21/h5-9,12,15H,10-11H2,1-4H3/t15-/m1/s1
InChIKeyWBEDNEFMNVJLLI-OAHLLOKOSA-N
MW297.40 g/mol
LogP3.82
Rot. Bonds4

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

(5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(2-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 171679290) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(2-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(2-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID171679290
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(2-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1cc(C)n(C[C@H]2CC(c3ccccc3C(C)C)=NO2)n1
InChIInChI=1S/C18H23N3O/c1-12(2)16-7-5-6-8-17(16)18-10-15(22-20-18)11-21-14(4)9-13(3)19-21/h5-9,12,15H,10-11H2,1-4H3/t15-/m1/s1
InChIKeyWBEDNEFMNVJLLI-OAHLLOKOSA-N
XLogP3.82
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-3-(2,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-4,5-dihydro-1,2-oxazole
CID 171679289
(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-pyrimidin-2-ylphenyl)-4,5-dihydro-1,2-oxazole
CID 171679165
5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,2-oxazole
CID 171679195
5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 171679157
5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(4-fluoro-3-methylsulfonylphenyl)-4,5-dihydro-1,2-oxazole
CID 171679228
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxamide
CID 110215427
3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole
CID 82078471
2-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine
CID 105456450
N,2-dimethyl-N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide
CID 42816060
3,5-dimethyl-1-(3-methylbutyl)pyrazole
CID 59748002
(5R)-5-(bromomethyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 99994007

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(2-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(2-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole (CID 171679290) is (5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(2-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(2-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(2-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole is Cc1cc(C)n(C[C@H]2CC(c3ccccc3C(C)C)=NO2)n1.
What is the InChIKey of (5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(2-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is WBEDNEFMNVJLLI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12(2)16-7-5-6-8-17(16)18-10-15(22-20-18)11-21-14(4)9-13(3)19-21/h5-9,12,15H,10-11H2,1-4H3/t15-/m1/s1.
What are the key properties of (5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(2-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole?
(5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(2-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 297.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(2-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 171679290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).