1-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea

C15H20FN7O2 — CID 118776038

IUPAC1-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea
SMILESO=C(NCCCN1CCOCC1)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C15H20FN7O2/c16-13-3-2-12(23-11-18-20-21-23)10-14(13)19-15(24)17-4-1-5-22-6-8-25-9-7-22/h2-3,10-11H,1,4-9H2,(H2,17,19,24)
InChIKeyKYKXNDXILNTKQD-UHFFFAOYSA-N
MW349.37 g/mol
LogP0.65
Rot. Bonds6

About 1-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea

1-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea (PubChem CID 118776038) has the molecular formula C15H20FN7O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 1-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea
PubChem CID118776038
Molecular FormulaC15H20FN7O2
Molecular Weight349.37 g/mol
Exact Mass349.17
IUPAC Name1-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea
SMILESO=C(NCCCN1CCOCC1)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C15H20FN7O2/c16-13-3-2-12(23-11-18-20-21-23)10-14(13)19-15(24)17-4-1-5-22-6-8-25-9-7-22/h2-3,10-11H,1,4-9H2,(H2,17,19,24)
InChIKeyKYKXNDXILNTKQD-UHFFFAOYSA-N
XLogP0.65
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide
CID 104902971
1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-(3-morpholin-4-ylpropyl)urea
CID 2811707
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 55812157
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199600
3-chloro-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63681109
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine
CID 54864011
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55811809
N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide
CID 33134269
2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60934319
3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide
CID 51082239

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea (CID 118776038) is 1-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea is O=C(NCCCN1CCOCC1)Nc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea?
The InChIKey is KYKXNDXILNTKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN7O2/c16-13-3-2-12(23-11-18-20-21-23)10-14(13)19-15(24)17-4-1-5-22-6-8-25-9-7-22/h2-3,10-11H,1,4-9H2,(H2,17,19,24).
What are the key properties of 1-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea?
1-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea has a molecular weight of 349.37 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 118776038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).