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

C15H23N5O3 — CID 98787356

IUPAC(5S)-7-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCCc1noc([C@H](C)N2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)n1
InChIInChI=1S/C15H23N5O3/c1-5-11-16-12(23-18-11)10(4)19-7-6-15(8-19)13(21)20(9(2)3)14(22)17-15/h9-10H,5-8H2,1-4H3,(H,17,22)/t10-,15-/m0/s1
InChIKeyNVPCWEWBWFYWCX-BONVTDFDSA-N
MW321.38 g/mol
LogP1.10
Rot. Bonds4

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

(5S)-7-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 98787356) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (5S)-7-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5S)-7-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID98787356
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name(5S)-7-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCCc1noc([C@H](C)N2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)n1
InChIInChI=1S/C15H23N5O3/c1-5-11-16-12(23-18-11)10(4)19-7-6-15(8-19)13(21)20(9(2)3)14(22)17-15/h9-10H,5-8H2,1-4H3,(H,17,22)/t10-,15-/m0/s1
InChIKeyNVPCWEWBWFYWCX-BONVTDFDSA-N
XLogP1.10
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5S)-7-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 98787356) is (5S)-7-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5S)-7-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5S)-7-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is CCc1noc([C@H](C)N2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)n1.
What is the InChIKey of (5S)-7-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is NVPCWEWBWFYWCX-BONVTDFDSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-5-11-16-12(23-18-11)10(4)19-7-6-15(8-19)13(21)20(9(2)3)14(22)17-15/h9-10H,5-8H2,1-4H3,(H,17,22)/t10-,15-/m0/s1.
What are the key properties of (5S)-7-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
(5S)-7-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 321.38 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 98787356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).