(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide

C18H28N4O3 — CID 3233416

IUPAC(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(C(=O)NC(C)C)C2)C1
InChIInChI=1S/C18H28N4O3/c1-12(2)19-17(24)22-9-7-18(11-22)6-5-8-21(10-18)16(23)15-13(3)20-25-14(15)4/h12H,5-11H2,1-4H3,(H,19,24)/t18-/m1/s1
InChIKeyRHRLMSKVAALORG-GOSISDBHSA-N
MW348.45 g/mol
LogP2.34
Rot. Bonds2

About (5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide

(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3233416) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is (5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3233416
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(C(=O)NC(C)C)C2)C1
InChIInChI=1S/C18H28N4O3/c1-12(2)19-17(24)22-9-7-18(11-22)6-5-8-21(10-18)16(23)15-13(3)20-25-14(15)4/h12H,5-11H2,1-4H3,(H,19,24)/t18-/m1/s1
InChIKeyRHRLMSKVAALORG-GOSISDBHSA-N
XLogP2.34
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 3233416) is (5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide is Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(C(=O)NC(C)C)C2)C1.
What is the InChIKey of (5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is RHRLMSKVAALORG-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-12(2)19-17(24)22-9-7-18(11-22)6-5-8-21(10-18)16(23)15-13(3)20-25-14(15)4/h12H,5-11H2,1-4H3,(H,19,24)/t18-/m1/s1.
What are the key properties of (5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide?
(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3233416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).