tert-butyl 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino]butanoate

C14H23N3O4 — CID 51135964

IUPACtert-butyl 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino]butanoate
SMILESCc1cc(NC(=O)N(C)CCCC(=O)OC(C)(C)C)no1
InChIInChI=1S/C14H23N3O4/c1-10-9-11(16-21-10)15-13(19)17(5)8-6-7-12(18)20-14(2,3)4/h9H,6-8H2,1-5H3,(H,15,16,19)
InChIKeyUUYNZXUFQPARJB-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.57
Rot. Bonds5

About tert-butyl 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino]butanoate

tert-butyl 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino]butanoate (PubChem CID 51135964) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is tert-butyl 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino]butanoate.

Molecular Properties

Compound Nametert-butyl 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino]butanoate
PubChem CID51135964
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Nametert-butyl 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino]butanoate
SMILESCc1cc(NC(=O)N(C)CCCC(=O)OC(C)(C)C)no1
InChIInChI=1S/C14H23N3O4/c1-10-9-11(16-21-10)15-13(19)17(5)8-6-7-12(18)20-14(2,3)4/h9H,6-8H2,1-5H3,(H,15,16,19)
InChIKeyUUYNZXUFQPARJB-UHFFFAOYSA-N
XLogP2.57
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino]butanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino]butanoate?
The IUPAC name of tert-butyl 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino]butanoate (CID 51135964) is tert-butyl 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino]butanoate.
What is the SMILES notation for tert-butyl 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino]butanoate?
The canonical SMILES for tert-butyl 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino]butanoate is Cc1cc(NC(=O)N(C)CCCC(=O)OC(C)(C)C)no1.
What is the InChIKey of tert-butyl 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino]butanoate?
The InChIKey is UUYNZXUFQPARJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-10-9-11(16-21-10)15-13(19)17(5)8-6-7-12(18)20-14(2,3)4/h9H,6-8H2,1-5H3,(H,15,16,19).
What are the key properties of tert-butyl 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino]butanoate?
tert-butyl 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino]butanoate has a molecular weight of 297.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[methyl-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino]butanoate is sourced from PubChem (CID 51135964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).