(5S)-7-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C14H20N4O3 — CID 97008299

IUPAC(5S)-7-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCc1cnc(CN2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)o1
InChIInChI=1S/C14H20N4O3/c1-9(2)18-12(19)14(16-13(18)20)4-5-17(8-14)7-11-15-6-10(3)21-11/h6,9H,4-5,7-8H2,1-3H3,(H,16,20)/t14-/m0/s1
InChIKeySOAXKNPFUQJELF-AWEZNQCLSA-N
MW292.34 g/mol
LogP0.89
Rot. Bonds3

About (5S)-7-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

(5S)-7-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 97008299) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is (5S)-7-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5S)-7-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID97008299
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name(5S)-7-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCc1cnc(CN2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)o1
InChIInChI=1S/C14H20N4O3/c1-9(2)18-12(19)14(16-13(18)20)4-5-17(8-14)7-11-15-6-10(3)21-11/h6,9H,4-5,7-8H2,1-3H3,(H,16,20)/t14-/m0/s1
InChIKeySOAXKNPFUQJELF-AWEZNQCLSA-N
XLogP0.89
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-7-(1,2-oxazol-5-ylmethyl)-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 97084105
(5S)-3-propan-2-yl-7-(pyridin-2-ylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 97017720
(5S)-3-propan-2-yl-7-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 97019004
(5S)-3-propan-2-yl-7-(quinolin-2-ylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 97017710
(5S)-7-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 97004096
(5S)-7-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 97017708
7-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 71928146
2-[(2,4-dioxo-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-7-yl)methyl]benzonitrile
CID 71928181
(5S)-3-propan-2-yl-7-(2-pyridin-2-ylethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 97017686
2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376771
4-[2-(2,4-dioxo-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-7-yl)ethoxy]benzonitrile
CID 71928223
[3-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]methanol
CID 84589464

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5S)-7-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 97008299) is (5S)-7-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5S)-7-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5S)-7-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is Cc1cnc(CN2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)o1.
What is the InChIKey of (5S)-7-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is SOAXKNPFUQJELF-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9(2)18-12(19)14(16-13(18)20)4-5-17(8-14)7-11-15-6-10(3)21-11/h6,9H,4-5,7-8H2,1-3H3,(H,16,20)/t14-/m0/s1.
What are the key properties of (5S)-7-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
(5S)-7-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 292.34 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 97008299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).