9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide

C19H30N4O3 — CID 3233221

IUPAC9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCC2(CCN(C(=O)NC(C)C)CC2)CC1
InChIInChI=1S/C19H30N4O3/c1-13(2)20-18(25)23-11-7-19(8-12-23)5-9-22(10-6-19)17(24)16-14(3)21-26-15(16)4/h13H,5-12H2,1-4H3,(H,20,25)
InChIKeyBEIDZHABHGLWLP-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.73
Rot. Bonds2

About 9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide

9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide (PubChem CID 3233221) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide.

Molecular Properties

Compound Name9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide
PubChem CID3233221
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCC2(CCN(C(=O)NC(C)C)CC2)CC1
InChIInChI=1S/C19H30N4O3/c1-13(2)20-18(25)23-11-7-19(8-12-23)5-9-22(10-6-19)17(24)16-14(3)21-26-15(16)4/h13H,5-12H2,1-4H3,(H,20,25)
InChIKeyBEIDZHABHGLWLP-UHFFFAOYSA-N
XLogP2.73
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The IUPAC name of 9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide (CID 3233221) is 9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide.
What is the SMILES notation for 9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The canonical SMILES for 9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide is Cc1noc(C)c1C(=O)N1CCC2(CCN(C(=O)NC(C)C)CC2)CC1.
What is the InChIKey of 9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The InChIKey is BEIDZHABHGLWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-13(2)20-18(25)23-11-7-19(8-12-23)5-9-22(10-6-19)17(24)16-14(3)21-26-15(16)4/h13H,5-12H2,1-4H3,(H,20,25).
What are the key properties of 9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide?
9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide is sourced from PubChem (CID 3233221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).