[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C17H24N2O4 — CID 97419704

IUPAC[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)no1
InChIInChI=1S/C17H24N2O4/c1-12-7-15(18-23-12)16(20)19-6-2-5-17(11-19)8-14(10-22-17)21-9-13-3-4-13/h7,13-14H,2-6,8-11H2,1H3/t14-,17-/m0/s1
InChIKeyVQGOQCPSTMXYCJ-YOEHRIQHSA-N
MW320.39 g/mol
LogP2.17
Rot. Bonds4

About [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 97419704) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID97419704
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)no1
InChIInChI=1S/C17H24N2O4/c1-12-7-15(18-23-12)16(20)19-6-2-5-17(11-19)8-14(10-22-17)21-9-13-3-4-13/h7,13-14H,2-6,8-11H2,1H3/t14-,17-/m0/s1
InChIKeyVQGOQCPSTMXYCJ-YOEHRIQHSA-N
XLogP2.17
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 97419704) is [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)no1.
What is the InChIKey of [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is VQGOQCPSTMXYCJ-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12-7-15(18-23-12)16(20)19-6-2-5-17(11-19)8-14(10-22-17)21-9-13-3-4-13/h7,13-14H,2-6,8-11H2,1H3/t14-,17-/m0/s1.
What are the key properties of [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 320.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 97419704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).