1-(4-tert-butylphenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea

C19H21FN6O — CID 16799344

IUPAC1-(4-tert-butylphenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea
SMILESCC(C)(C)c1ccc(NC(=O)NCc2nnnn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN6O/c1-19(2,3)13-4-8-15(9-5-13)22-18(27)21-12-17-23-24-25-26(17)16-10-6-14(20)7-11-16/h4-11H,12H2,1-3H3,(H2,21,22,27)
InChIKeyOZYOFEWNDINNQZ-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.42
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea

1-(4-tert-butylphenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea (PubChem CID 16799344) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea
PubChem CID16799344
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name1-(4-tert-butylphenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea
SMILESCC(C)(C)c1ccc(NC(=O)NCc2nnnn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN6O/c1-19(2,3)13-4-8-15(9-5-13)22-18(27)21-12-17-23-24-25-26(17)16-10-6-14(20)7-11-16/h4-11H,12H2,1-3H3,(H2,21,22,27)
InChIKeyOZYOFEWNDINNQZ-UHFFFAOYSA-N
XLogP3.42
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-[3-(5-methyl-tetrazol-1-yl)-phenyl]-urea
CID 11454941
1-{1-[1-(4-Fluoro-benzyl)-1H-tetrazol-5-ylmethyl]-piperidin-4-yl}-3-(2-fluoro-phenyl)-urea
CID 651222
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-2,2-dimethylpropanamide
CID 16030168
N-{[1-(3,4-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 16799168
N-{[1-(3,4-dimethylphenyl)-1H-1,2,3,4-tetraazol-5-yl]methyl}-2-methylpropanamide
CID 7216944
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-4-fluorobenzamide
CID 16030197
N-{[4-(dimethylamino)phenyl][1-(2,6-dimethylphenyl)-1H-tetraazol-5-yl]methyl}-N-methylacetamide
CID 15945663
N-(3-fluoro-4-methylphenyl)-4-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]piperazine-1-carboxamide
CID 134787967
N-(3-fluoro-4-methylphenyl)-4-[1-(3-propan-2-ylphenyl)tetrazol-5-yl]piperazine-1-carboxamide
CID 134789687
N-(3-fluoro-4-methylphenyl)-4-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]piperazine-1-carboxamide
CID 134790238
1,3-Bis[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]urea
CID 169041678
Tetrazol, 5-[2-(4-methylphenylamino)ethenyl]-1-phenyl-
CID 5368329

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea (CID 16799344) is 1-(4-tert-butylphenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea is CC(C)(C)c1ccc(NC(=O)NCc2nnnn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea?
The InChIKey is OZYOFEWNDINNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-19(2,3)13-4-8-15(9-5-13)22-18(27)21-12-17-23-24-25-26(17)16-10-6-14(20)7-11-16/h4-11H,12H2,1-3H3,(H2,21,22,27).
What are the key properties of 1-(4-tert-butylphenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea?
1-(4-tert-butylphenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea has a molecular weight of 368.42 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea is sourced from PubChem (CID 16799344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).