3-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole

C20H24N4O — CID 95610205

IUPAC3-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
SMILESCc1nn(C)c(C)c1[C@H]1CCCN1Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C20H24N4O/c1-14-20(15(2)23(3)21-14)19-10-7-11-24(19)13-17-12-18(22-25-17)16-8-5-4-6-9-16/h4-6,8-9,12,19H,7,10-11,13H2,1-3H3/t19-/m1/s1
InChIKeyBQROWEDMRDIXPZ-LJQANCHMSA-N
MW336.44 g/mol
LogP4.03
Rot. Bonds4

About 3-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole

3-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole (PubChem CID 95610205) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
PubChem CID95610205
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
SMILESCc1nn(C)c(C)c1[C@H]1CCCN1Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C20H24N4O/c1-14-20(15(2)23(3)21-14)19-10-7-11-24(19)13-17-12-18(22-25-17)16-8-5-4-6-9-16/h4-6,8-9,12,19H,7,10-11,13H2,1-3H3/t19-/m1/s1
InChIKeyBQROWEDMRDIXPZ-LJQANCHMSA-N
XLogP4.03
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95978943
5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole
CID 99929165
3-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,2-oxazole
CID 99959800
3-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122029033
4-[(2R)-1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
CID 95750793
4-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
CID 95611782
1-[(2R)-2-[(2S)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95305012
1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-2-carbaldehyde
CID 62656794
1,3,5-trimethyl-4-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole
CID 86895587
4-[1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
CID 56780686
1,3,5-trimethyl-4-[(2S)-1-[2-[(R)-phenylsulfinyl]ethyl]pyrrolidin-2-yl]pyrazole
CID 95750800
1,3,5-trimethyl-4-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole
CID 95611766

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole (CID 95610205) is 3-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole is Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1cc(-c2ccccc2)no1.
What is the InChIKey of 3-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is BQROWEDMRDIXPZ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-20(15(2)23(3)21-14)19-10-7-11-24(19)13-17-12-18(22-25-17)16-8-5-4-6-9-16/h4-6,8-9,12,19H,7,10-11,13H2,1-3H3/t19-/m1/s1.
What are the key properties of 3-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
3-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 336.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 95610205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).