1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea

C17H19N5O3 — CID 127045218

IUPAC1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(N)no3)cc2)no1
InChIInChI=1S/C17H19N5O3/c1-17(2,3)13-9-15(22-25-13)20-16(23)19-11-6-4-10(5-7-11)12-8-14(18)21-24-12/h4-9H,1-3H3,(H2,18,21)(H2,19,20,22,23)
InChIKeySERSHILIOMDFAS-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.85
Rot. Bonds3

About 1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea

1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea (PubChem CID 127045218) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
PubChem CID127045218
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(N)no3)cc2)no1
InChIInChI=1S/C17H19N5O3/c1-17(2,3)13-9-15(22-25-13)20-16(23)19-11-6-4-10(5-7-11)12-8-14(18)21-24-12/h4-9H,1-3H3,(H2,18,21)(H2,19,20,22,23)
InChIKeySERSHILIOMDFAS-UHFFFAOYSA-N
XLogP3.85
TPSA119.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea (CID 127045218) is 1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(N)no3)cc2)no1.
What is the InChIKey of 1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea?
The InChIKey is SERSHILIOMDFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-17(2,3)13-9-15(22-25-13)20-16(23)19-11-6-4-10(5-7-11)12-8-14(18)21-24-12/h4-9H,1-3H3,(H2,18,21)(H2,19,20,22,23).
What are the key properties of 1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea?
1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea has a molecular weight of 341.37 g/mol, XLogP of 3.85, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 127045218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).