4-methoxy-N-methyl-5-(5-methyldodecan-5-yl)-1,3-oxazol-2-amine

C18H34N2O2 — CID 146379321

IUPAC4-methoxy-N-methyl-5-(5-methyldodecan-5-yl)-1,3-oxazol-2-amine
SMILESCCCCCCCC(C)(CCCC)c1oc(NC)nc1OC
InChIInChI=1S/C18H34N2O2/c1-6-8-10-11-12-14-18(3,13-9-7-2)15-16(21-5)20-17(19-4)22-15/h6-14H2,1-5H3,(H,19,20)
InChIKeyDYQGQULPGWHQIG-UHFFFAOYSA-N
MW310.48 g/mol
LogP5.53
Rot. Bonds12

About 4-methoxy-N-methyl-5-(5-methyldodecan-5-yl)-1,3-oxazol-2-amine

4-methoxy-N-methyl-5-(5-methyldodecan-5-yl)-1,3-oxazol-2-amine (PubChem CID 146379321) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 4-methoxy-N-methyl-5-(5-methyldodecan-5-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-5-(5-methyldodecan-5-yl)-1,3-oxazol-2-amine
PubChem CID146379321
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name4-methoxy-N-methyl-5-(5-methyldodecan-5-yl)-1,3-oxazol-2-amine
SMILESCCCCCCCC(C)(CCCC)c1oc(NC)nc1OC
InChIInChI=1S/C18H34N2O2/c1-6-8-10-11-12-14-18(3,13-9-7-2)15-16(21-5)20-17(19-4)22-15/h6-14H2,1-5H3,(H,19,20)
InChIKeyDYQGQULPGWHQIG-UHFFFAOYSA-N
XLogP5.53
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146379373
2-bromo-5-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146378252
5-bromo-3-methoxy-1-methyl-4-(6-methyldodecan-6-yl)pyrazole
CID 146379474
4-bromo-2-chloro-5-(6-methyldodecan-6-yl)-1,3-oxazole
CID 146379375
5-fluoro-3-methoxy-4-(6-methyldodecan-6-yl)-1H-pyrazole
CID 146377827
3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole
CID 146376933
2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146378264
5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146377053
2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146377045
1-methoxy-2-(9-methylnonadecan-9-yl)benzene
CID 135163718
2-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole
CID 146378115
3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole
CID 146431143

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-5-(5-methyldodecan-5-yl)-1,3-oxazol-2-amine?
The IUPAC name of 4-methoxy-N-methyl-5-(5-methyldodecan-5-yl)-1,3-oxazol-2-amine (CID 146379321) is 4-methoxy-N-methyl-5-(5-methyldodecan-5-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-5-(5-methyldodecan-5-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-5-(5-methyldodecan-5-yl)-1,3-oxazol-2-amine is CCCCCCCC(C)(CCCC)c1oc(NC)nc1OC.
What is the InChIKey of 4-methoxy-N-methyl-5-(5-methyldodecan-5-yl)-1,3-oxazol-2-amine?
The InChIKey is DYQGQULPGWHQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-6-8-10-11-12-14-18(3,13-9-7-2)15-16(21-5)20-17(19-4)22-15/h6-14H2,1-5H3,(H,19,20).
What are the key properties of 4-methoxy-N-methyl-5-(5-methyldodecan-5-yl)-1,3-oxazol-2-amine?
4-methoxy-N-methyl-5-(5-methyldodecan-5-yl)-1,3-oxazol-2-amine has a molecular weight of 310.48 g/mol, XLogP of 5.53, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-5-(5-methyldodecan-5-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 146379321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).