oxan-4-yl-[(5R)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone

C18H27N3O3S — CID 97384986

IUPACoxan-4-yl-[(5R)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
SMILESO=C(C1CCOCC1)N1CCOC[C@@]2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C18H27N3O3S/c22-17(15-1-7-23-8-2-15)21-6-9-24-14-18(13-21)3-5-20(12-18)11-16-19-4-10-25-16/h4,10,15H,1-3,5-9,11-14H2/t18-/m1/s1
InChIKeySCJLQJWERVUWLX-GOSISDBHSA-N
MW365.50 g/mol
LogP1.62
Rot. Bonds3

About oxan-4-yl-[(5R)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone

oxan-4-yl-[(5R)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone (PubChem CID 97384986) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is oxan-4-yl-[(5R)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[(5R)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
PubChem CID97384986
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Nameoxan-4-yl-[(5R)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
SMILESO=C(C1CCOCC1)N1CCOC[C@@]2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C18H27N3O3S/c22-17(15-1-7-23-8-2-15)21-6-9-24-14-18(13-21)3-5-20(12-18)11-16-19-4-10-25-16/h4,10,15H,1-3,5-9,11-14H2/t18-/m1/s1
InChIKeySCJLQJWERVUWLX-GOSISDBHSA-N
XLogP1.62
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[(5R)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
The IUPAC name of oxan-4-yl-[(5R)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone (CID 97384986) is oxan-4-yl-[(5R)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone.
What is the SMILES notation for oxan-4-yl-[(5R)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
The canonical SMILES for oxan-4-yl-[(5R)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone is O=C(C1CCOCC1)N1CCOC[C@@]2(CCN(Cc3nccs3)C2)C1.
What is the InChIKey of oxan-4-yl-[(5R)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
The InChIKey is SCJLQJWERVUWLX-GOSISDBHSA-N. The full InChI is InChI=1S/C18H27N3O3S/c22-17(15-1-7-23-8-2-15)21-6-9-24-14-18(13-21)3-5-20(12-18)11-16-19-4-10-25-16/h4,10,15H,1-3,5-9,11-14H2/t18-/m1/s1.
What are the key properties of oxan-4-yl-[(5R)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
oxan-4-yl-[(5R)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone has a molecular weight of 365.50 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[(5R)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone is sourced from PubChem (CID 97384986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).