8-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane

C23H26N4O5S — CID 172884486

IUPAC8-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESO=S(=O)(c1cccnc1)N1CCOC2(CN(Cc3cc(-c4ccccc4)no3)CCCO2)C1
InChIInChI=1S/C23H26N4O5S/c28-33(29,21-8-4-9-24-15-21)27-11-13-31-23(18-27)17-26(10-5-12-30-23)16-20-14-22(25-32-20)19-6-2-1-3-7-19/h1-4,6-9,14-15H,5,10-13,16-18H2
InChIKeyNRPZHNYKTNNVAH-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.38
Rot. Bonds5

About 8-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane

8-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 172884486) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is 8-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name8-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID172884486
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name8-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESO=S(=O)(c1cccnc1)N1CCOC2(CN(Cc3cc(-c4ccccc4)no3)CCCO2)C1
InChIInChI=1S/C23H26N4O5S/c28-33(29,21-8-4-9-24-15-21)27-11-13-31-23(18-27)17-26(10-5-12-30-23)16-20-14-22(25-32-20)19-6-2-1-3-7-19/h1-4,6-9,14-15H,5,10-13,16-18H2
InChIKeyNRPZHNYKTNNVAH-UHFFFAOYSA-N
XLogP2.38
TPSA98.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane with MolForge

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Related Compounds

(2-methyl-1,3-thiazol-4-yl)-(4-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)methanone
CID 172884491
4-(hydroxymethyl)-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 56752239
2-(piperidin-1-ylmethyl)-4-pyridin-3-ylsulfonyl-1,4-oxazepane
CID 131926649
N-(2,4-difluorophenyl)-8-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide
CID 172884458
3-morpholin-4-ylsulfonyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]aniline
CID 86919018
methyl 3-phenyl-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxylate
CID 171908349
2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane
CID 71871364
1-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 30760408
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 55477935
3-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,2-oxazole
CID 99959800
N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-2-pyridin-3-ylacetamide
CID 131913778
N,N,2-trimethyl-4-pyridin-3-ylsulfonylmorpholine-2-carboxamide
CID 110253727

Frequently Asked Questions

What is the IUPAC name of 8-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 8-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane (CID 172884486) is 8-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 8-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 8-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane is O=S(=O)(c1cccnc1)N1CCOC2(CN(Cc3cc(-c4ccccc4)no3)CCCO2)C1.
What is the InChIKey of 8-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is NRPZHNYKTNNVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c28-33(29,21-8-4-9-24-15-21)27-11-13-31-23(18-27)17-26(10-5-12-30-23)16-20-14-22(25-32-20)19-6-2-1-3-7-19/h1-4,6-9,14-15H,5,10-13,16-18H2.
What are the key properties of 8-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane?
8-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 470.55 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 172884486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).