[(1R,5S)-6-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C21H23N5O2 — CID 168678790

IUPAC[(1R,5S)-6-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1onc(C2[C@H]3CN(C(=O)c4cc(C(C)C)[nH]n4)C[C@@H]23)c1-c1ccccn1
InChIInChI=1S/C21H23N5O2/c1-11(2)16-8-17(24-23-16)21(27)26-9-13-14(10-26)19(13)20-18(12(3)28-25-20)15-6-4-5-7-22-15/h4-8,11,13-14,19H,9-10H2,1-3H3,(H,23,24)/t13-,14+,19?
InChIKeySRVZOBWKLCORPY-FSWDVZBNSA-N
MW377.45 g/mol
LogP3.38
Rot. Bonds4

About [(1R,5S)-6-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[(1R,5S)-6-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 168678790) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is [(1R,5S)-6-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(1R,5S)-6-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID168678790
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name[(1R,5S)-6-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1onc(C2[C@H]3CN(C(=O)c4cc(C(C)C)[nH]n4)C[C@@H]23)c1-c1ccccn1
InChIInChI=1S/C21H23N5O2/c1-11(2)16-8-17(24-23-16)21(27)26-9-13-14(10-26)19(13)20-18(12(3)28-25-20)15-6-4-5-7-22-15/h4-8,11,13-14,19H,9-10H2,1-3H3,(H,23,24)/t13-,14+,19?
InChIKeySRVZOBWKLCORPY-FSWDVZBNSA-N
XLogP3.38
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R,5S)-6-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-6-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [(1R,5S)-6-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 168678790) is [(1R,5S)-6-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [(1R,5S)-6-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [(1R,5S)-6-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is Cc1onc(C2[C@H]3CN(C(=O)c4cc(C(C)C)[nH]n4)C[C@@H]23)c1-c1ccccn1.
What is the InChIKey of [(1R,5S)-6-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is SRVZOBWKLCORPY-FSWDVZBNSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-11(2)16-8-17(24-23-16)21(27)26-9-13-14(10-26)19(13)20-18(12(3)28-25-20)15-6-4-5-7-22-15/h4-8,11,13-14,19H,9-10H2,1-3H3,(H,23,24)/t13-,14+,19?.
What are the key properties of [(1R,5S)-6-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[(1R,5S)-6-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 377.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-6-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 168678790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).