1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

C15H22N4O2S — CID 71865650

IUPAC1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(C(C)NC(=O)NCc2ncc(C(C)(C)C)o2)cs1
InChIInChI=1S/C15H22N4O2S/c1-9(11-8-22-10(2)19-11)18-14(20)17-7-13-16-6-12(21-13)15(3,4)5/h6,8-9H,7H2,1-5H3,(H2,17,18,20)
InChIKeyWAURIIVJKYEGJW-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.30
Rot. Bonds4

About 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 71865650) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID71865650
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(C(C)NC(=O)NCc2ncc(C(C)(C)C)o2)cs1
InChIInChI=1S/C15H22N4O2S/c1-9(11-8-22-10(2)19-11)18-14(20)17-7-13-16-6-12(21-13)15(3,4)5/h6,8-9H,7H2,1-5H3,(H2,17,18,20)
InChIKeyWAURIIVJKYEGJW-UHFFFAOYSA-N
XLogP3.30
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (CID 71865650) is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is Cc1nc(C(C)NC(=O)NCc2ncc(C(C)(C)C)o2)cs1.
What is the InChIKey of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is WAURIIVJKYEGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-9(11-8-22-10(2)19-11)18-14(20)17-7-13-16-6-12(21-13)15(3,4)5/h6,8-9H,7H2,1-5H3,(H2,17,18,20).
What are the key properties of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 322.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 71865650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).