1-(2-fluorophenyl)-3-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]urea

C16H14FN5O3 — CID 3799825

IUPAC1-(2-fluorophenyl)-3-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]urea
SMILESO=C(NNC(=O)C1CC(c2cccnc2)=NO1)Nc1ccccc1F
InChIInChI=1S/C16H14FN5O3/c17-11-5-1-2-6-12(11)19-16(24)21-20-15(23)14-8-13(22-25-14)10-4-3-7-18-9-10/h1-7,9,14H,8H2,(H,20,23)(H2,19,21,24)
InChIKeyIZTRANCAMOZATB-UHFFFAOYSA-N
MW343.32 g/mol
LogP1.57
Rot. Bonds3

About 1-(2-fluorophenyl)-3-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]urea

1-(2-fluorophenyl)-3-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]urea (PubChem CID 3799825) has the molecular formula C16H14FN5O3 and a molecular weight of 343.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]urea
PubChem CID3799825
Molecular FormulaC16H14FN5O3
Molecular Weight343.32 g/mol
Exact Mass343.11
IUPAC Name1-(2-fluorophenyl)-3-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]urea
SMILESO=C(NNC(=O)C1CC(c2cccnc2)=NO1)Nc1ccccc1F
InChIInChI=1S/C16H14FN5O3/c17-11-5-1-2-6-12(11)19-16(24)21-20-15(23)14-8-13(22-25-14)10-4-3-7-18-9-10/h1-7,9,14H,8H2,(H,20,23)(H2,19,21,24)
InChIKeyIZTRANCAMOZATB-UHFFFAOYSA-N
XLogP1.57
TPSA104.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]urea (CID 3799825) is 1-(2-fluorophenyl)-3-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]urea is O=C(NNC(=O)C1CC(c2cccnc2)=NO1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]urea?
The InChIKey is IZTRANCAMOZATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O3/c17-11-5-1-2-6-12(11)19-16(24)21-20-15(23)14-8-13(22-25-14)10-4-3-7-18-9-10/h1-7,9,14H,8H2,(H,20,23)(H2,19,21,24).
What are the key properties of 1-(2-fluorophenyl)-3-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]urea?
1-(2-fluorophenyl)-3-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]urea has a molecular weight of 343.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]urea is sourced from PubChem (CID 3799825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).