(4,4-dimethyl-1,3-oxazolidin-3-yl)-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]methanone

C23H42N4O3 — CID 140515889

IUPAC(4,4-dimethyl-1,3-oxazolidin-3-yl)-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]methanone
SMILESCOC1CCC(C2CNC(NC3CCCC(C(=O)N4COCC4(C)C)C3)NC2)CC1
InChIInChI=1S/C23H42N4O3/c1-23(2)14-30-15-27(23)21(28)17-5-4-6-19(11-17)26-22-24-12-18(13-25-22)16-7-9-20(29-3)10-8-16/h16-20,22,24-26H,4-15H2,1-3H3
InChIKeyKVMMYWVNPDDZDU-UHFFFAOYSA-N
MW422.61 g/mol
LogP2.03
Rot. Bonds5

About (4,4-dimethyl-1,3-oxazolidin-3-yl)-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]methanone

(4,4-dimethyl-1,3-oxazolidin-3-yl)-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]methanone (PubChem CID 140515889) has the molecular formula C23H42N4O3 and a molecular weight of 422.61 g/mol. Its IUPAC name is (4,4-dimethyl-1,3-oxazolidin-3-yl)-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]methanone.

Molecular Properties

Compound Name(4,4-dimethyl-1,3-oxazolidin-3-yl)-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]methanone
PubChem CID140515889
Molecular FormulaC23H42N4O3
Molecular Weight422.61 g/mol
Exact Mass422.33
IUPAC Name(4,4-dimethyl-1,3-oxazolidin-3-yl)-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]methanone
SMILESCOC1CCC(C2CNC(NC3CCCC(C(=O)N4COCC4(C)C)C3)NC2)CC1
InChIInChI=1S/C23H42N4O3/c1-23(2)14-30-15-27(23)21(28)17-5-4-6-19(11-17)26-22-24-12-18(13-25-22)16-7-9-20(29-3)10-8-16/h16-20,22,24-26H,4-15H2,1-3H3
InChIKeyKVMMYWVNPDDZDU-UHFFFAOYSA-N
XLogP2.03
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-1,3-oxazolidin-3-yl)-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]methanone?
The IUPAC name of (4,4-dimethyl-1,3-oxazolidin-3-yl)-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]methanone (CID 140515889) is (4,4-dimethyl-1,3-oxazolidin-3-yl)-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]methanone.
What is the SMILES notation for (4,4-dimethyl-1,3-oxazolidin-3-yl)-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]methanone?
The canonical SMILES for (4,4-dimethyl-1,3-oxazolidin-3-yl)-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]methanone is COC1CCC(C2CNC(NC3CCCC(C(=O)N4COCC4(C)C)C3)NC2)CC1.
What is the InChIKey of (4,4-dimethyl-1,3-oxazolidin-3-yl)-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]methanone?
The InChIKey is KVMMYWVNPDDZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4O3/c1-23(2)14-30-15-27(23)21(28)17-5-4-6-19(11-17)26-22-24-12-18(13-25-22)16-7-9-20(29-3)10-8-16/h16-20,22,24-26H,4-15H2,1-3H3.
What are the key properties of (4,4-dimethyl-1,3-oxazolidin-3-yl)-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]methanone?
(4,4-dimethyl-1,3-oxazolidin-3-yl)-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]methanone has a molecular weight of 422.61 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-1,3-oxazolidin-3-yl)-[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]methanone is sourced from PubChem (CID 140515889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).