8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-propan-2-yl-6-propylphenyl)-2,8-diazaspiro[4.5]decane-2-carboxamide

C27H38N4O3 — CID 3871567

IUPAC8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-propan-2-yl-6-propylphenyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESCCCc1cccc(C(C)C)c1NC(=O)N1CCC2(CCN(C(=O)c3c(C)noc3C)CC2)C1
InChIInChI=1S/C27H38N4O3/c1-6-8-21-9-7-10-22(18(2)3)24(21)28-26(33)31-16-13-27(17-31)11-14-30(15-12-27)25(32)23-19(4)29-34-20(23)5/h7,9-10,18H,6,8,11-17H2,1-5H3,(H,28,33)
InChIKeyKCZMFEIJZVBTKS-UHFFFAOYSA-N
MW466.63 g/mol
LogP5.53
Rot. Bonds5

About 8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-propan-2-yl-6-propylphenyl)-2,8-diazaspiro[4.5]decane-2-carboxamide

8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-propan-2-yl-6-propylphenyl)-2,8-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3871567) has the molecular formula C27H38N4O3 and a molecular weight of 466.63 g/mol. Its IUPAC name is 8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-propan-2-yl-6-propylphenyl)-2,8-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-propan-2-yl-6-propylphenyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3871567
Molecular FormulaC27H38N4O3
Molecular Weight466.63 g/mol
Exact Mass466.29
IUPAC Name8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-propan-2-yl-6-propylphenyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESCCCc1cccc(C(C)C)c1NC(=O)N1CCC2(CCN(C(=O)c3c(C)noc3C)CC2)C1
InChIInChI=1S/C27H38N4O3/c1-6-8-21-9-7-10-22(18(2)3)24(21)28-26(33)31-16-13-27(17-31)11-14-30(15-12-27)25(32)23-19(4)29-34-20(23)5/h7,9-10,18H,6,8,11-17H2,1-5H3,(H,28,33)
InChIKeyKCZMFEIJZVBTKS-UHFFFAOYSA-N
XLogP5.53
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-propan-2-yl-6-propylphenyl)-2,8-diazaspiro[4.5]decane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-propan-2-yl-6-propylphenyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-propan-2-yl-6-propylphenyl)-2,8-diazaspiro[4.5]decane-2-carboxamide (CID 3871567) is 8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-propan-2-yl-6-propylphenyl)-2,8-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-propan-2-yl-6-propylphenyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-propan-2-yl-6-propylphenyl)-2,8-diazaspiro[4.5]decane-2-carboxamide is CCCc1cccc(C(C)C)c1NC(=O)N1CCC2(CCN(C(=O)c3c(C)noc3C)CC2)C1.
What is the InChIKey of 8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-propan-2-yl-6-propylphenyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is KCZMFEIJZVBTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O3/c1-6-8-21-9-7-10-22(18(2)3)24(21)28-26(33)31-16-13-27(17-31)11-14-30(15-12-27)25(32)23-19(4)29-34-20(23)5/h7,9-10,18H,6,8,11-17H2,1-5H3,(H,28,33).
What are the key properties of 8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-propan-2-yl-6-propylphenyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-propan-2-yl-6-propylphenyl)-2,8-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 466.63 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-propan-2-yl-6-propylphenyl)-2,8-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3871567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).