(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone

C18H30N4O2 — CID 56750719

IUPAC(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone
SMILESCCc1nc(C)c(C(=O)N2CCCN(C)C3(CCN(C)CC3)C2)o1
InChIInChI=1S/C18H30N4O2/c1-5-15-19-14(2)16(24-15)17(23)22-10-6-9-21(4)18(13-22)7-11-20(3)12-8-18/h5-13H2,1-4H3
InChIKeySZXKMFDNVBZDLV-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.79
Rot. Bonds2

About (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone

(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 56750719) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID56750719
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone
SMILESCCc1nc(C)c(C(=O)N2CCCN(C)C3(CCN(C)CC3)C2)o1
InChIInChI=1S/C18H30N4O2/c1-5-15-19-14(2)16(24-15)17(23)22-10-6-9-21(4)18(13-22)7-11-20(3)12-8-18/h5-13H2,1-4H3
InChIKeySZXKMFDNVBZDLV-UHFFFAOYSA-N
XLogP1.79
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone
CID 56760017
(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 56756865
(3aS,6aS)-5-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-2-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 50959454
(5R)-9-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95726030
1-(azepan-1-yl)-4-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)butane-1,4-dione
CID 56755352
(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 56744173
1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
CID 165422931
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 136544708
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 128516662
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 131897729
2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
CID 56753565
1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 56742211

Frequently Asked Questions

What is the IUPAC name of (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone (CID 56750719) is (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone is CCc1nc(C)c(C(=O)N2CCCN(C)C3(CCN(C)CC3)C2)o1.
What is the InChIKey of (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is SZXKMFDNVBZDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-5-15-19-14(2)16(24-15)17(23)22-10-6-9-21(4)18(13-22)7-11-20(3)12-8-18/h5-13H2,1-4H3.
What are the key properties of (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone?
(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 334.46 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 56750719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).