2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine

C14H24N2O — CID 79339803

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCc1noc(C)c1C=C(CNC(C)C)C(C)C
InChIInChI=1S/C14H24N2O/c1-9(2)13(8-15-10(3)4)7-14-11(5)16-17-12(14)6/h7,9-10,15H,8H2,1-6H3
InChIKeyCMAPWJZUFFZKMB-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.33
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 79339803) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID79339803
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCc1noc(C)c1C=C(CNC(C)C)C(C)C
InChIInChI=1S/C14H24N2O/c1-9(2)13(8-15-10(3)4)7-14-11(5)16-17-12(14)6/h7,9-10,15H,8H2,1-6H3
InChIKeyCMAPWJZUFFZKMB-UHFFFAOYSA-N
XLogP3.33
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-(2,2-dibromoethenyl)-3,5-dimethyl-1,2-oxazole
CID 89401907
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60963501
(2E)-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 81313344
4-methyl-N,2-di(propan-2-yl)pent-2-en-1-amine
CID 79339268
3,5-dimethyl-4-[(Z)-prop-1-enyl]-1,2-oxazole
CID 147391521
(NE)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine
CID 60639672
4-(3,5-dimethyl-1,2-oxazol-4-yl)but-3-en-1-ol
CID 170476060
(E)-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoate
CID 7063565
3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79339901
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbut-2-en-1-amine
CID 104577650
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 79236273
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine
CID 115718218

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine (CID 79339803) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine is Cc1noc(C)c1C=C(CNC(C)C)C(C)C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is CMAPWJZUFFZKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-9(2)13(8-15-10(3)4)7-14-11(5)16-17-12(14)6/h7,9-10,15H,8H2,1-6H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 79339803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).