(5S)-3-bromo-5-(1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole

C12H10BrN3O — CID 58126784

IUPAC(5S)-3-bromo-5-(1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole
SMILESBrC1=NO[C@H](c2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C12H10BrN3O/c13-12-6-11(17-15-12)9-7-14-16(8-9)10-4-2-1-3-5-10/h1-5,7-8,11H,6H2/t11-/m0/s1
InChIKeyLRDQPZFTDVXEMY-NSHDSACASA-N
MW292.14 g/mol
LogP3.04
Rot. Bonds2

About (5S)-3-bromo-5-(1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole

(5S)-3-bromo-5-(1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole (PubChem CID 58126784) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is (5S)-3-bromo-5-(1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-3-bromo-5-(1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole
PubChem CID58126784
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name(5S)-3-bromo-5-(1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole
SMILESBrC1=NO[C@H](c2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C12H10BrN3O/c13-12-6-11(17-15-12)9-7-14-16(8-9)10-4-2-1-3-5-10/h1-5,7-8,11H,6H2/t11-/m0/s1
InChIKeyLRDQPZFTDVXEMY-NSHDSACASA-N
XLogP3.04
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride
CID 170910890
4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole
CID 81350650
1-methyl-5-(1-phenylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine
CID 79510472
2-ethyl-2-methyl-3-(1-phenylpyrazol-4-yl)cyclobutan-1-one
CID 81414983
(5S)-3-bromo-5-(2-phenyl-1,3-thiazol-5-yl)-4,5-dihydro-1,2-oxazole
CID 58126766
4-(4-methylpyrrolidin-2-yl)-1-phenylpyrazole
CID 64687894
4-amino-5-(1-phenylpyrazol-4-yl)-5H-1,3-oxazol-2-one
CID 114239573
5-(1-phenylpyrazol-4-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79498550
4-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]-N,N-dimethylbenzamide;4-[(5R)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]-N,N-dimethylbenzamide
CID 158523651
7-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557096
4-[bromo(cyclopropyl)methyl]-1-phenylpyrazole
CID 61095952
8-methoxy-5-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557765

Frequently Asked Questions

What is the IUPAC name of (5S)-3-bromo-5-(1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-3-bromo-5-(1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole (CID 58126784) is (5S)-3-bromo-5-(1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-3-bromo-5-(1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-3-bromo-5-(1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole is BrC1=NO[C@H](c2cnn(-c3ccccc3)c2)C1.
What is the InChIKey of (5S)-3-bromo-5-(1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole?
The InChIKey is LRDQPZFTDVXEMY-NSHDSACASA-N. The full InChI is InChI=1S/C12H10BrN3O/c13-12-6-11(17-15-12)9-7-14-16(8-9)10-4-2-1-3-5-10/h1-5,7-8,11H,6H2/t11-/m0/s1.
What are the key properties of (5S)-3-bromo-5-(1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole?
(5S)-3-bromo-5-(1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole has a molecular weight of 292.14 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-bromo-5-(1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58126784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).