(5R)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C17H24N4O4 — CID 97491304

IUPAC(5R)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCc1noc(C)c1C(=O)N1CC[C@@]2(CC(C(=O)N(C)C(C)C)=NO2)C1
InChIInChI=1S/C17H24N4O4/c1-10(2)20(5)15(22)13-8-17(25-19-13)6-7-21(9-17)16(23)14-11(3)18-24-12(14)4/h10H,6-9H2,1-5H3/t17-/m1/s1
InChIKeyXRCIYNUSLCPEIP-QGZVFWFLSA-N
MW348.40 g/mol
LogP1.52
Rot. Bonds3

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

(5R)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97491304) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is (5R)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound Name(5R)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID97491304
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name(5R)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCc1noc(C)c1C(=O)N1CC[C@@]2(CC(C(=O)N(C)C(C)C)=NO2)C1
InChIInChI=1S/C17H24N4O4/c1-10(2)20(5)15(22)13-8-17(25-19-13)6-7-21(9-17)16(23)14-11(3)18-24-12(14)4/h10H,6-9H2,1-5H3/t17-/m1/s1
InChIKeyXRCIYNUSLCPEIP-QGZVFWFLSA-N
XLogP1.52
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-7-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131653729
(5R)-N-methyl-N-propan-2-yl-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491293
(5R)-7-(3-fluorophenyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97396168
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 120817861
(5S)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97449276
4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38725800
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134014888
3-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea
CID 131642141
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 134074221
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395135
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 71706126
2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]propanoic acid
CID 116680882

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of (5R)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97491304) is (5R)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for (5R)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for (5R)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is Cc1noc(C)c1C(=O)N1CC[C@@]2(CC(C(=O)N(C)C(C)C)=NO2)C1.
What is the InChIKey of (5R)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is XRCIYNUSLCPEIP-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-10(2)20(5)15(22)13-8-17(25-19-13)6-7-21(9-17)16(23)14-11(3)18-24-12(14)4/h10H,6-9H2,1-5H3/t17-/m1/s1.
What are the key properties of (5R)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
(5R)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97491304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).