1-[(4-acetylmorpholin-2-yl)methyl]-3-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]urea

C16H19FN6O3 — CID 118764614

IUPAC1-[(4-acetylmorpholin-2-yl)methyl]-3-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]urea
SMILESCC(=O)N1CCOC(CNC(=O)Nc2cc(-n3cnnc3)ccc2F)C1
InChIInChI=1S/C16H19FN6O3/c1-11(24)22-4-5-26-13(8-22)7-18-16(25)21-15-6-12(2-3-14(15)17)23-9-19-20-10-23/h2-3,6,9-10,13H,4-5,7-8H2,1H3,(H2,18,21,25)
InChIKeyLDHXMPNRXMENQO-UHFFFAOYSA-N
MW362.37 g/mol
LogP0.78
Rot. Bonds4

About 1-[(4-acetylmorpholin-2-yl)methyl]-3-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]urea

1-[(4-acetylmorpholin-2-yl)methyl]-3-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]urea (PubChem CID 118764614) has the molecular formula C16H19FN6O3 and a molecular weight of 362.37 g/mol. Its IUPAC name is 1-[(4-acetylmorpholin-2-yl)methyl]-3-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(4-acetylmorpholin-2-yl)methyl]-3-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]urea
PubChem CID118764614
Molecular FormulaC16H19FN6O3
Molecular Weight362.37 g/mol
Exact Mass362.15
IUPAC Name1-[(4-acetylmorpholin-2-yl)methyl]-3-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]urea
SMILESCC(=O)N1CCOC(CNC(=O)Nc2cc(-n3cnnc3)ccc2F)C1
InChIInChI=1S/C16H19FN6O3/c1-11(24)22-4-5-26-13(8-22)7-18-16(25)21-15-6-12(2-3-14(15)17)23-9-19-20-10-23/h2-3,6,9-10,13H,4-5,7-8H2,1H3,(H2,18,21,25)
InChIKeyLDHXMPNRXMENQO-UHFFFAOYSA-N
XLogP0.78
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(4-acetylmorpholin-2-yl)methyl]-3-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]urea with MolForge

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Related Compounds

N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 125161657
2-[4-[[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]carbamoylamino]piperidin-1-yl]acetamide
CID 118776596
1-[(2R)-2-[[(5-fluoropyrimidin-2-yl)amino]methyl]morpholin-4-yl]ethanone
CID 125440889
1-(4-chlorophenyl)-3-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]urea
CID 10114305
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 125163832
N-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide
CID 56758878
1-(2,3-difluorophenyl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea
CID 97285718
N-[(4-acetylmorpholin-2-yl)methyl]-4-methoxypyridine-2-carboxamide
CID 118785820
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 125435518
N-[[4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide
CID 75374460
N-[[(2R)-4-[(2S)-4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide
CID 97218270
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
CID 102604185

Frequently Asked Questions

What is the IUPAC name of 1-[(4-acetylmorpholin-2-yl)methyl]-3-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]urea?
The IUPAC name of 1-[(4-acetylmorpholin-2-yl)methyl]-3-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]urea (CID 118764614) is 1-[(4-acetylmorpholin-2-yl)methyl]-3-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-[(4-acetylmorpholin-2-yl)methyl]-3-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]urea?
The canonical SMILES for 1-[(4-acetylmorpholin-2-yl)methyl]-3-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]urea is CC(=O)N1CCOC(CNC(=O)Nc2cc(-n3cnnc3)ccc2F)C1.
What is the InChIKey of 1-[(4-acetylmorpholin-2-yl)methyl]-3-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]urea?
The InChIKey is LDHXMPNRXMENQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6O3/c1-11(24)22-4-5-26-13(8-22)7-18-16(25)21-15-6-12(2-3-14(15)17)23-9-19-20-10-23/h2-3,6,9-10,13H,4-5,7-8H2,1H3,(H2,18,21,25).
What are the key properties of 1-[(4-acetylmorpholin-2-yl)methyl]-3-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]urea?
1-[(4-acetylmorpholin-2-yl)methyl]-3-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]urea has a molecular weight of 362.37 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-acetylmorpholin-2-yl)methyl]-3-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]urea is sourced from PubChem (CID 118764614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).