4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enyl-1,3-oxazol-2-amine

C14H25N3O2 — CID 103340178

IUPAC4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enyl-1,3-oxazol-2-amine
SMILESC=CCN(CCOC)c1nc(CNC(C)(C)C)co1
InChIInChI=1S/C14H25N3O2/c1-6-7-17(8-9-18-5)13-16-12(11-19-13)10-15-14(2,3)4/h6,11,15H,1,7-10H2,2-5H3
InChIKeyIARVTTLTLYRIHY-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.20
Rot. Bonds8

About 4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enyl-1,3-oxazol-2-amine

4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enyl-1,3-oxazol-2-amine (PubChem CID 103340178) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enyl-1,3-oxazol-2-amine
PubChem CID103340178
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enyl-1,3-oxazol-2-amine
SMILESC=CCN(CCOC)c1nc(CNC(C)(C)C)co1
InChIInChI=1S/C14H25N3O2/c1-6-7-17(8-9-18-5)13-16-12(11-19-13)10-15-14(2,3)4/h6,11,15H,1,7-10H2,2-5H3
InChIKeyIARVTTLTLYRIHY-UHFFFAOYSA-N
XLogP2.20
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enyl-1,3-oxazol-2-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enyl-1,3-oxazol-2-amine (CID 103340178) is 4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enyl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enyl-1,3-oxazol-2-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enyl-1,3-oxazol-2-amine is C=CCN(CCOC)c1nc(CNC(C)(C)C)co1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enyl-1,3-oxazol-2-amine?
The InChIKey is IARVTTLTLYRIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-7-17(8-9-18-5)13-16-12(11-19-13)10-15-14(2,3)4/h6,11,15H,1,7-10H2,2-5H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enyl-1,3-oxazol-2-amine?
4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enyl-1,3-oxazol-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enyl-1,3-oxazol-2-amine is sourced from PubChem (CID 103340178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).