1-(4-fluorophenyl)-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)urea

C17H16FN5O3 — CID 2954287

IUPAC1-(4-fluorophenyl)-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(N2CCOCC2)c2nonc12
InChIInChI=1S/C17H16FN5O3/c18-11-1-3-12(4-2-11)19-17(24)20-13-5-6-14(16-15(13)21-26-22-16)23-7-9-25-10-8-23/h1-6H,7-10H2,(H2,19,20,24)
InChIKeyDMBOMLURYKOWQA-UHFFFAOYSA-N
MW357.35 g/mol
LogP2.84
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)urea

1-(4-fluorophenyl)-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)urea (PubChem CID 2954287) has the molecular formula C17H16FN5O3 and a molecular weight of 357.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)urea
PubChem CID2954287
Molecular FormulaC17H16FN5O3
Molecular Weight357.35 g/mol
Exact Mass357.12
IUPAC Name1-(4-fluorophenyl)-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(N2CCOCC2)c2nonc12
InChIInChI=1S/C17H16FN5O3/c18-11-1-3-12(4-2-11)19-17(24)20-13-5-6-14(16-15(13)21-26-22-16)23-7-9-25-10-8-23/h1-6H,7-10H2,(H2,19,20,24)
InChIKeyDMBOMLURYKOWQA-UHFFFAOYSA-N
XLogP2.84
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-fluorophenyl)-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)thiourea
CID 17378320
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)cyclopentanecarboxamide
CID 752810
1-(2-fluorophenyl)-3-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)urea
CID 17174433
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pentanamide
CID 4088765
2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide
CID 17173694
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide
CID 17173598
4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide
CID 17174256
(2S)-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-2-phenylbutanamide
CID 27519968
1-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-3-prop-2-enylthiourea
CID 17266654
(1R,2S,3S,4R)-3-[(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124722411
(1S,2R,3S,4R)-3-[(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 51706351
1-cyclopropyl-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)thiourea
CID 17380861

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)urea (CID 2954287) is 1-(4-fluorophenyl)-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)urea is O=C(Nc1ccc(F)cc1)Nc1ccc(N2CCOCC2)c2nonc12.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)urea?
The InChIKey is DMBOMLURYKOWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3/c18-11-1-3-12(4-2-11)19-17(24)20-13-5-6-14(16-15(13)21-26-22-16)23-7-9-25-10-8-23/h1-6H,7-10H2,(H2,19,20,24).
What are the key properties of 1-(4-fluorophenyl)-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)urea?
1-(4-fluorophenyl)-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)urea has a molecular weight of 357.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)urea is sourced from PubChem (CID 2954287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).