5-cyclopropyl-N-[9-(3-morpholin-4-ylpropylsulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide

C22H34N4O5S — CID 153455640

IUPAC5-cyclopropyl-N-[9-(3-morpholin-4-ylpropylsulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CC2CCCC(C1)N2S(=O)(=O)CCCN1CCOCC1)c1cc(C2CC2)on1
InChIInChI=1S/C22H34N4O5S/c27-22(20-15-21(31-24-20)16-5-6-16)23-17-13-18-3-1-4-19(14-17)26(18)32(28,29)12-2-7-25-8-10-30-11-9-25/h15-19H,1-14H2,(H,23,27)
InChIKeyJWRHEDXWDHJQHI-UHFFFAOYSA-N
MW466.60 g/mol
LogP1.72
Rot. Bonds8

About 5-cyclopropyl-N-[9-(3-morpholin-4-ylpropylsulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[9-(3-morpholin-4-ylpropylsulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 153455640) has the molecular formula C22H34N4O5S and a molecular weight of 466.60 g/mol. Its IUPAC name is 5-cyclopropyl-N-[9-(3-morpholin-4-ylpropylsulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[9-(3-morpholin-4-ylpropylsulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID153455640
Molecular FormulaC22H34N4O5S
Molecular Weight466.60 g/mol
Exact Mass466.22
IUPAC Name5-cyclopropyl-N-[9-(3-morpholin-4-ylpropylsulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CC2CCCC(C1)N2S(=O)(=O)CCCN1CCOCC1)c1cc(C2CC2)on1
InChIInChI=1S/C22H34N4O5S/c27-22(20-15-21(31-24-20)16-5-6-16)23-17-13-18-3-1-4-19(14-17)26(18)32(28,29)12-2-7-25-8-10-30-11-9-25/h15-19H,1-14H2,(H,23,27)
InChIKeyJWRHEDXWDHJQHI-UHFFFAOYSA-N
XLogP1.72
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[9-(3-morpholin-4-ylpropylsulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[9-(3-morpholin-4-ylpropylsulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide (CID 153455640) is 5-cyclopropyl-N-[9-(3-morpholin-4-ylpropylsulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[9-(3-morpholin-4-ylpropylsulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[9-(3-morpholin-4-ylpropylsulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide is O=C(NC1CC2CCCC(C1)N2S(=O)(=O)CCCN1CCOCC1)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[9-(3-morpholin-4-ylpropylsulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is JWRHEDXWDHJQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O5S/c27-22(20-15-21(31-24-20)16-5-6-16)23-17-13-18-3-1-4-19(14-17)26(18)32(28,29)12-2-7-25-8-10-30-11-9-25/h15-19H,1-14H2,(H,23,27).
What are the key properties of 5-cyclopropyl-N-[9-(3-morpholin-4-ylpropylsulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[9-(3-morpholin-4-ylpropylsulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 466.60 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[9-(3-morpholin-4-ylpropylsulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 153455640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).