3-[3-(2-ethyltetrazol-5-yl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea

C18H26N6O2 — CID 72922904

IUPAC3-[3-(2-ethyltetrazol-5-yl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
SMILESCCn1nnc(-c2cccc(NC(=O)N(C)CCCC3CCCO3)c2)n1
InChIInChI=1S/C18H26N6O2/c1-3-24-21-17(20-22-24)14-7-4-8-15(13-14)19-18(25)23(2)11-5-9-16-10-6-12-26-16/h4,7-8,13,16H,3,5-6,9-12H2,1-2H3,(H,19,25)
InChIKeyWVYITMSWQWXXLW-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.78
Rot. Bonds7

About 3-[3-(2-ethyltetrazol-5-yl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea

3-[3-(2-ethyltetrazol-5-yl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea (PubChem CID 72922904) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 3-[3-(2-ethyltetrazol-5-yl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea.

Molecular Properties

Compound Name3-[3-(2-ethyltetrazol-5-yl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
PubChem CID72922904
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name3-[3-(2-ethyltetrazol-5-yl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
SMILESCCn1nnc(-c2cccc(NC(=O)N(C)CCCC3CCCO3)c2)n1
InChIInChI=1S/C18H26N6O2/c1-3-24-21-17(20-22-24)14-7-4-8-15(13-14)19-18(25)23(2)11-5-9-16-10-6-12-26-16/h4,7-8,13,16H,3,5-6,9-12H2,1-2H3,(H,19,25)
InChIKeyWVYITMSWQWXXLW-UHFFFAOYSA-N
XLogP2.78
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-(2-ethyltetrazol-5-yl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea with MolForge

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Related Compounds

3-(3-benzylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125154893
3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 118761000
3-(3-chloro-4-methylphenyl)-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 118767228
3-(1,3-benzodioxol-5-yl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125167071
1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]-3-(2-phenyl-1,3-benzoxazol-5-yl)urea
CID 97436331
(2S)-N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 125177307
2-chloro-N-methyl-5-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]carbamoyl]amino]benzamide
CID 125170840
1-methyl-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 126423852
3-(3-acetylphenyl)-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61174521
3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95258983
3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95258982
3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide
CID 125159693

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethyltetrazol-5-yl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea?
The IUPAC name of 3-[3-(2-ethyltetrazol-5-yl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea (CID 72922904) is 3-[3-(2-ethyltetrazol-5-yl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea.
What is the SMILES notation for 3-[3-(2-ethyltetrazol-5-yl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea?
The canonical SMILES for 3-[3-(2-ethyltetrazol-5-yl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea is CCn1nnc(-c2cccc(NC(=O)N(C)CCCC3CCCO3)c2)n1.
What is the InChIKey of 3-[3-(2-ethyltetrazol-5-yl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea?
The InChIKey is WVYITMSWQWXXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-3-24-21-17(20-22-24)14-7-4-8-15(13-14)19-18(25)23(2)11-5-9-16-10-6-12-26-16/h4,7-8,13,16H,3,5-6,9-12H2,1-2H3,(H,19,25).
What are the key properties of 3-[3-(2-ethyltetrazol-5-yl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea?
3-[3-(2-ethyltetrazol-5-yl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea has a molecular weight of 358.45 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethyltetrazol-5-yl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea is sourced from PubChem (CID 72922904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).