(5R)-N-[[(2S)-oxolan-2-yl]methyl]-7-(1,3-thiazole-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C16H20N4O4S — CID 97491386

IUPAC(5R)-N-[[(2S)-oxolan-2-yl]methyl]-7-(1,3-thiazole-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)C1=NO[C@]2(CCN(C(=O)c3cscn3)C2)C1
InChIInChI=1S/C16H20N4O4S/c21-14(17-7-11-2-1-5-23-11)12-6-16(24-19-12)3-4-20(9-16)15(22)13-8-25-10-18-13/h8,10-11H,1-7,9H2,(H,17,21)/t11-,16+/m0/s1
InChIKeyDPTZUCYHUXXPJY-MEDUHNTESA-N
MW364.43 g/mol
LogP0.80
Rot. Bonds4

About (5R)-N-[[(2S)-oxolan-2-yl]methyl]-7-(1,3-thiazole-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5R)-N-[[(2S)-oxolan-2-yl]methyl]-7-(1,3-thiazole-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97491386) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is (5R)-N-[[(2S)-oxolan-2-yl]methyl]-7-(1,3-thiazole-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-[[(2S)-oxolan-2-yl]methyl]-7-(1,3-thiazole-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID97491386
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name(5R)-N-[[(2S)-oxolan-2-yl]methyl]-7-(1,3-thiazole-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)C1=NO[C@]2(CCN(C(=O)c3cscn3)C2)C1
InChIInChI=1S/C16H20N4O4S/c21-14(17-7-11-2-1-5-23-11)12-6-16(24-19-12)3-4-20(9-16)15(22)13-8-25-10-18-13/h8,10-11H,1-7,9H2,(H,17,21)/t11-,16+/m0/s1
InChIKeyDPTZUCYHUXXPJY-MEDUHNTESA-N
XLogP0.80
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5R)-7-(3-methylthiophene-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491420
(5S)-N-(2-morpholin-4-ylethyl)-7-(1,3-thiazole-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491465
3-N-(oxolan-2-ylmethyl)-7-N-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
CID 131645622
N-(oxolan-2-ylmethyl)-7-(thiophen-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131659642
(5S)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 124804274
7-(6-methoxypyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134079617
(5S)-7-[(6-methyl-2-pyridinyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 124793741
7-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134072440
(5R)-N-(cyclopropylmethyl)-7-(1,2-oxazole-5-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97396165
4-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97450871
(5S)-N-[(4-fluorophenyl)methyl]-7-(pyrazine-2-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491786
7-N-cyclopentyl-3-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
CID 131653882

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[[(2S)-oxolan-2-yl]methyl]-7-(1,3-thiazole-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of (5R)-N-[[(2S)-oxolan-2-yl]methyl]-7-(1,3-thiazole-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97491386) is (5R)-N-[[(2S)-oxolan-2-yl]methyl]-7-(1,3-thiazole-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for (5R)-N-[[(2S)-oxolan-2-yl]methyl]-7-(1,3-thiazole-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for (5R)-N-[[(2S)-oxolan-2-yl]methyl]-7-(1,3-thiazole-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is O=C(NC[C@@H]1CCCO1)C1=NO[C@]2(CCN(C(=O)c3cscn3)C2)C1.
What is the InChIKey of (5R)-N-[[(2S)-oxolan-2-yl]methyl]-7-(1,3-thiazole-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is DPTZUCYHUXXPJY-MEDUHNTESA-N. The full InChI is InChI=1S/C16H20N4O4S/c21-14(17-7-11-2-1-5-23-11)12-6-16(24-19-12)3-4-20(9-16)15(22)13-8-25-10-18-13/h8,10-11H,1-7,9H2,(H,17,21)/t11-,16+/m0/s1.
What are the key properties of (5R)-N-[[(2S)-oxolan-2-yl]methyl]-7-(1,3-thiazole-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
(5R)-N-[[(2S)-oxolan-2-yl]methyl]-7-(1,3-thiazole-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[[(2S)-oxolan-2-yl]methyl]-7-(1,3-thiazole-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97491386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).