tert-butyl N-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]propyl]carbamate

C15H21N3O3S — CID 99841626

IUPACtert-butyl N-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]propyl]carbamate
SMILESCc1cc(-c2csc(CCCNC(=O)OC(C)(C)C)n2)on1
InChIInChI=1S/C15H21N3O3S/c1-10-8-12(21-18-10)11-9-22-13(17-11)6-5-7-16-14(19)20-15(2,3)4/h8-9H,5-7H2,1-4H3,(H,16,19)
InChIKeyRORDOWFIYJPIBU-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.56
Rot. Bonds5

About tert-butyl N-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]propyl]carbamate

tert-butyl N-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]propyl]carbamate (PubChem CID 99841626) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is tert-butyl N-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]propyl]carbamate
PubChem CID99841626
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Nametert-butyl N-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]propyl]carbamate
SMILESCc1cc(-c2csc(CCCNC(=O)OC(C)(C)C)n2)on1
InChIInChI=1S/C15H21N3O3S/c1-10-8-12(21-18-10)11-9-22-13(17-11)6-5-7-16-14(19)20-15(2,3)4/h8-9H,5-7H2,1-4H3,(H,16,19)
InChIKeyRORDOWFIYJPIBU-UHFFFAOYSA-N
XLogP3.56
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]propyl]carbamate (CID 99841626) is tert-butyl N-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]propyl]carbamate is Cc1cc(-c2csc(CCCNC(=O)OC(C)(C)C)n2)on1.
What is the InChIKey of tert-butyl N-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]propyl]carbamate?
The InChIKey is RORDOWFIYJPIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-10-8-12(21-18-10)11-9-22-13(17-11)6-5-7-16-14(19)20-15(2,3)4/h8-9H,5-7H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl N-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]propyl]carbamate?
tert-butyl N-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]propyl]carbamate has a molecular weight of 323.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]propyl]carbamate is sourced from PubChem (CID 99841626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).