1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea

C12H14N4O3 — CID 167934119

IUPAC1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
SMILESCc1cc(NC(=O)NCc2cc(C3CC3)no2)on1
InChIInChI=1S/C12H14N4O3/c1-7-4-11(19-15-7)14-12(17)13-6-9-5-10(16-18-9)8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H2,13,14,17)
InChIKeyRCQWFBLKLLCOLM-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.17
Rot. Bonds4

About 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea

1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea (PubChem CID 167934119) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
PubChem CID167934119
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
SMILESCc1cc(NC(=O)NCc2cc(C3CC3)no2)on1
InChIInChI=1S/C12H14N4O3/c1-7-4-11(19-15-7)14-12(17)13-6-9-5-10(16-18-9)8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H2,13,14,17)
InChIKeyRCQWFBLKLLCOLM-UHFFFAOYSA-N
XLogP2.17
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
The IUPAC name of 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea (CID 167934119) is 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea is Cc1cc(NC(=O)NCc2cc(C3CC3)no2)on1.
What is the InChIKey of 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
The InChIKey is RCQWFBLKLLCOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-4-11(19-15-7)14-12(17)13-6-9-5-10(16-18-9)8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H2,13,14,17).
What are the key properties of 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea has a molecular weight of 262.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea is sourced from PubChem (CID 167934119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).