1-(2-amino-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea

C16H12N6O2 — CID 162643601

IUPAC1-(2-amino-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
SMILESNc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1
InChIInChI=1S/C16H12N6O2/c17-15-21-10-4-3-9(8-13(10)24-15)20-16(23)22-12-5-7-18-11-2-1-6-19-14(11)12/h1-8H,(H2,17,21)(H2,18,20,22,23)
InChIKeyJPUWQMPKAYFUDA-UHFFFAOYSA-N
MW320.31 g/mol
LogP3.00
Rot. Bonds2

About 1-(2-amino-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea

1-(2-amino-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea (PubChem CID 162643601) has the molecular formula C16H12N6O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 1-(2-amino-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea.

Molecular Properties

Compound Name1-(2-amino-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
PubChem CID162643601
Molecular FormulaC16H12N6O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Name1-(2-amino-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
SMILESNc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1
InChIInChI=1S/C16H12N6O2/c17-15-21-10-4-3-9(8-13(10)24-15)20-16(23)22-12-5-7-18-11-2-1-6-19-14(11)12/h1-8H,(H2,17,21)(H2,18,20,22,23)
InChIKeyJPUWQMPKAYFUDA-UHFFFAOYSA-N
XLogP3.00
TPSA118.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea?
The IUPAC name of 1-(2-amino-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea (CID 162643601) is 1-(2-amino-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea.
What is the SMILES notation for 1-(2-amino-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea?
The canonical SMILES for 1-(2-amino-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea is Nc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1.
What is the InChIKey of 1-(2-amino-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea?
The InChIKey is JPUWQMPKAYFUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2/c17-15-21-10-4-3-9(8-13(10)24-15)20-16(23)22-12-5-7-18-11-2-1-6-19-14(11)12/h1-8H,(H2,17,21)(H2,18,20,22,23).
What are the key properties of 1-(2-amino-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea?
1-(2-amino-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea has a molecular weight of 320.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea is sourced from PubChem (CID 162643601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).