[5-(4-bromophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]methanone

C19H19BrN4O2 — CID 92901991

IUPAC[5-(4-bromophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCCn1nccc1[C@@H]1CCCN1C(=O)c1cc(-c2ccc(Br)cc2)on1
InChIInChI=1S/C19H19BrN4O2/c1-2-24-17(9-10-21-24)16-4-3-11-23(16)19(25)15-12-18(26-22-15)13-5-7-14(20)8-6-13/h5-10,12,16H,2-4,11H2,1H3/t16-/m0/s1
InChIKeyABBALXXJLDMGDU-INIZCTEOSA-N
MW415.29 g/mol
LogP4.30
Rot. Bonds4

About [5-(4-bromophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]methanone

[5-(4-bromophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 92901991) has the molecular formula C19H19BrN4O2 and a molecular weight of 415.29 g/mol. Its IUPAC name is [5-(4-bromophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-bromophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID92901991
Molecular FormulaC19H19BrN4O2
Molecular Weight415.29 g/mol
Exact Mass414.07
IUPAC Name[5-(4-bromophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCCn1nccc1[C@@H]1CCCN1C(=O)c1cc(-c2ccc(Br)cc2)on1
InChIInChI=1S/C19H19BrN4O2/c1-2-24-17(9-10-21-24)16-4-3-11-23(16)19(25)15-12-18(26-22-15)13-5-7-14(20)8-6-13/h5-10,12,16H,2-4,11H2,1H3/t16-/m0/s1
InChIKeyABBALXXJLDMGDU-INIZCTEOSA-N
XLogP4.30
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 92901994
[5-(4-bromophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92877742
[5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 17252757
[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanone
CID 92893649
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 126774607
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 99816463
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanone
CID 92893531
5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-1-ethylpyrazole
CID 20895753
(2R)-2-(2-ethylpyrazol-3-yl)-N-phenylpyrrolidine-1-carboxamide
CID 51612994
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92893500
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92893460
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51855884

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(4-bromophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]methanone (CID 92901991) is [5-(4-bromophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(4-bromophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(4-bromophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]methanone is CCn1nccc1[C@@H]1CCCN1C(=O)c1cc(-c2ccc(Br)cc2)on1.
What is the InChIKey of [5-(4-bromophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is ABBALXXJLDMGDU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19BrN4O2/c1-2-24-17(9-10-21-24)16-4-3-11-23(16)19(25)15-12-18(26-22-15)13-5-7-14(20)8-6-13/h5-10,12,16H,2-4,11H2,1H3/t16-/m0/s1.
What are the key properties of [5-(4-bromophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]methanone?
[5-(4-bromophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 415.29 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92901991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).