1-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea

C15H19F2N5O2 — CID 164630686

IUPAC1-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea
SMILESCC[C@H](NC(=O)Nc1nc(C)n(C)n1)c1ccccc1OC(F)F
InChIInChI=1S/C15H19F2N5O2/c1-4-11(10-7-5-6-8-12(10)24-13(16)17)19-15(23)20-14-18-9(2)22(3)21-14/h5-8,11,13H,4H2,1-3H3,(H2,19,20,21,23)/t11-/m0/s1
InChIKeyOGVDKGMNKIKOME-NSHDSACASA-N
MW339.35 g/mol
LogP3.00
Rot. Bonds6

About 1-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea

1-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea (PubChem CID 164630686) has the molecular formula C15H19F2N5O2 and a molecular weight of 339.35 g/mol. Its IUPAC name is 1-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea.

Molecular Properties

Compound Name1-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea
PubChem CID164630686
Molecular FormulaC15H19F2N5O2
Molecular Weight339.35 g/mol
Exact Mass339.15
IUPAC Name1-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea
SMILESCC[C@H](NC(=O)Nc1nc(C)n(C)n1)c1ccccc1OC(F)F
InChIInChI=1S/C15H19F2N5O2/c1-4-11(10-7-5-6-8-12(10)24-13(16)17)19-15(23)20-14-18-9(2)22(3)21-14/h5-8,11,13H,4H2,1-3H3,(H2,19,20,21,23)/t11-/m0/s1
InChIKeyOGVDKGMNKIKOME-NSHDSACASA-N
XLogP3.00
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea with MolForge

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Related Compounds

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N-(3-methyl-1,2,4-thiadiazol-5-yl)-N'-[2-(trifluoromethoxy)benzyl]urea
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1-[1-(2-Methoxy-5-methylphenyl)ethyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea
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1-[[3-(Difluoromethoxy)phenyl]methyl]-1-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
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CID 53532152
1-[[1-[(5-Fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2,4-triazole
CID 53571054
1-[2-(2-Methoxyphenyl)ethyl]-1-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53595268
N-[1-(2-methoxyphenyl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 71880415
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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea?
The IUPAC name of 1-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea (CID 164630686) is 1-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea.
What is the SMILES notation for 1-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea?
The canonical SMILES for 1-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea is CC[C@H](NC(=O)Nc1nc(C)n(C)n1)c1ccccc1OC(F)F.
What is the InChIKey of 1-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea?
The InChIKey is OGVDKGMNKIKOME-NSHDSACASA-N. The full InChI is InChI=1S/C15H19F2N5O2/c1-4-11(10-7-5-6-8-12(10)24-13(16)17)19-15(23)20-14-18-9(2)22(3)21-14/h5-8,11,13H,4H2,1-3H3,(H2,19,20,21,23)/t11-/m0/s1.
What are the key properties of 1-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea?
1-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea has a molecular weight of 339.35 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea is sourced from PubChem (CID 164630686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).