N-(4-butylcyclohexyl)-N'-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide

C17H27N3O3 — CID 75407605

IUPACN-(4-butylcyclohexyl)-N'-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide
SMILESCCCCC1CCC(NC(=O)C(=O)Nc2c(C)noc2C)CC1
InChIInChI=1S/C17H27N3O3/c1-4-5-6-13-7-9-14(10-8-13)18-16(21)17(22)19-15-11(2)20-23-12(15)3/h13-14H,4-10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyMQYCPBCMNZTMMR-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.10
Rot. Bonds5

About N-(4-butylcyclohexyl)-N'-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide

N-(4-butylcyclohexyl)-N'-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide (PubChem CID 75407605) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(4-butylcyclohexyl)-N'-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide.

Molecular Properties

Compound NameN-(4-butylcyclohexyl)-N'-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide
PubChem CID75407605
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-(4-butylcyclohexyl)-N'-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide
SMILESCCCCC1CCC(NC(=O)C(=O)Nc2c(C)noc2C)CC1
InChIInChI=1S/C17H27N3O3/c1-4-5-6-13-7-9-14(10-8-13)18-16(21)17(22)19-15-11(2)20-23-12(15)3/h13-14H,4-10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyMQYCPBCMNZTMMR-UHFFFAOYSA-N
XLogP3.10
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylcyclohexyl)-N'-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide?
The IUPAC name of N-(4-butylcyclohexyl)-N'-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide (CID 75407605) is N-(4-butylcyclohexyl)-N'-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide.
What is the SMILES notation for N-(4-butylcyclohexyl)-N'-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide?
The canonical SMILES for N-(4-butylcyclohexyl)-N'-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide is CCCCC1CCC(NC(=O)C(=O)Nc2c(C)noc2C)CC1.
What is the InChIKey of N-(4-butylcyclohexyl)-N'-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide?
The InChIKey is MQYCPBCMNZTMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-4-5-6-13-7-9-14(10-8-13)18-16(21)17(22)19-15-11(2)20-23-12(15)3/h13-14H,4-10H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-butylcyclohexyl)-N'-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide?
N-(4-butylcyclohexyl)-N'-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide has a molecular weight of 321.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylcyclohexyl)-N'-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide is sourced from PubChem (CID 75407605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).