1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea

C15H15N5O2 — CID 71940384

IUPAC1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea
SMILESCn1cc(NC(=O)Nc2ccc3oc(C4CC4)nc3c2)cn1
InChIInChI=1S/C15H15N5O2/c1-20-8-11(7-16-20)18-15(21)17-10-4-5-13-12(6-10)19-14(22-13)9-2-3-9/h4-9H,2-3H2,1H3,(H2,17,18,21)
InChIKeyMZCZKWRDPAOVEA-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.08
Rot. Bonds3

About 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea

1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea (PubChem CID 71940384) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea
PubChem CID71940384
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea
SMILESCn1cc(NC(=O)Nc2ccc3oc(C4CC4)nc3c2)cn1
InChIInChI=1S/C15H15N5O2/c1-20-8-11(7-16-20)18-15(21)17-10-4-5-13-12(6-10)19-14(22-13)9-2-3-9/h4-9H,2-3H2,1H3,(H2,17,18,21)
InChIKeyMZCZKWRDPAOVEA-UHFFFAOYSA-N
XLogP3.08
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea?
The IUPAC name of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea (CID 71940384) is 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea is Cn1cc(NC(=O)Nc2ccc3oc(C4CC4)nc3c2)cn1.
What is the InChIKey of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea?
The InChIKey is MZCZKWRDPAOVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-20-8-11(7-16-20)18-15(21)17-10-4-5-13-12(6-10)19-14(22-13)9-2-3-9/h4-9H,2-3H2,1H3,(H2,17,18,21).
What are the key properties of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea?
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea has a molecular weight of 297.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 71940384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).