1-(4H-chromeno[3,4-d][1,2]oxazol-3-yl)-3-(2,4-difluorophenyl)urea

C17H11F2N3O3 — CID 6625806

IUPAC1-(4H-chromeno[3,4-d][1,2]oxazol-3-yl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1noc2c1COc1ccccc1-2
InChIInChI=1S/C17H11F2N3O3/c18-9-5-6-13(12(19)7-9)20-17(23)21-16-11-8-24-14-4-2-1-3-10(14)15(11)25-22-16/h1-7H,8H2,(H2,20,21,22,23)
InChIKeyJIOIZTPDHADRGU-UHFFFAOYSA-N
MW343.29 g/mol
LogP4.16
Rot. Bonds2

About 1-(4H-chromeno[3,4-d][1,2]oxazol-3-yl)-3-(2,4-difluorophenyl)urea

1-(4H-chromeno[3,4-d][1,2]oxazol-3-yl)-3-(2,4-difluorophenyl)urea (PubChem CID 6625806) has the molecular formula C17H11F2N3O3 and a molecular weight of 343.29 g/mol. Its IUPAC name is 1-(4H-chromeno[3,4-d][1,2]oxazol-3-yl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(4H-chromeno[3,4-d][1,2]oxazol-3-yl)-3-(2,4-difluorophenyl)urea
PubChem CID6625806
Molecular FormulaC17H11F2N3O3
Molecular Weight343.29 g/mol
Exact Mass343.08
IUPAC Name1-(4H-chromeno[3,4-d][1,2]oxazol-3-yl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1noc2c1COc1ccccc1-2
InChIInChI=1S/C17H11F2N3O3/c18-9-5-6-13(12(19)7-9)20-17(23)21-16-11-8-24-14-4-2-1-3-10(14)15(11)25-22-16/h1-7H,8H2,(H2,20,21,22,23)
InChIKeyJIOIZTPDHADRGU-UHFFFAOYSA-N
XLogP4.16
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4H-chromeno[3,4-d][1,2]oxazol-3-yl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(4H-chromeno[3,4-d][1,2]oxazol-3-yl)-3-(2,4-difluorophenyl)urea (CID 6625806) is 1-(4H-chromeno[3,4-d][1,2]oxazol-3-yl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(4H-chromeno[3,4-d][1,2]oxazol-3-yl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(4H-chromeno[3,4-d][1,2]oxazol-3-yl)-3-(2,4-difluorophenyl)urea is O=C(Nc1ccc(F)cc1F)Nc1noc2c1COc1ccccc1-2.
What is the InChIKey of 1-(4H-chromeno[3,4-d][1,2]oxazol-3-yl)-3-(2,4-difluorophenyl)urea?
The InChIKey is JIOIZTPDHADRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O3/c18-9-5-6-13(12(19)7-9)20-17(23)21-16-11-8-24-14-4-2-1-3-10(14)15(11)25-22-16/h1-7H,8H2,(H2,20,21,22,23).
What are the key properties of 1-(4H-chromeno[3,4-d][1,2]oxazol-3-yl)-3-(2,4-difluorophenyl)urea?
1-(4H-chromeno[3,4-d][1,2]oxazol-3-yl)-3-(2,4-difluorophenyl)urea has a molecular weight of 343.29 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4H-chromeno[3,4-d][1,2]oxazol-3-yl)-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 6625806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).