1-ethyl-1-(oxan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]urea

C16H22N6O2 — CID 72912485

IUPAC1-ethyl-1-(oxan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]urea
SMILESCCN(CC1CCCCO1)C(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H22N6O2/c1-2-21(11-15-5-3-4-10-24-15)16(23)18-13-6-8-14(9-7-13)22-12-17-19-20-22/h6-9,12,15H,2-5,10-11H2,1H3,(H,18,23)
InChIKeyOCGVDJWBPJMJJC-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.09
Rot. Bonds5

About 1-ethyl-1-(oxan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]urea

1-ethyl-1-(oxan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]urea (PubChem CID 72912485) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-ethyl-1-(oxan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-ethyl-1-(oxan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]urea
PubChem CID72912485
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name1-ethyl-1-(oxan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]urea
SMILESCCN(CC1CCCCO1)C(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H22N6O2/c1-2-21(11-15-5-3-4-10-24-15)16(23)18-13-6-8-14(9-7-13)22-12-17-19-20-22/h6-9,12,15H,2-5,10-11H2,1H3,(H,18,23)
InChIKeyOCGVDJWBPJMJJC-UHFFFAOYSA-N
XLogP2.09
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97445258
1-methyl-1-[[(2S)-oxan-2-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 124572395
1-methyl-1-(oxan-2-ylmethyl)-3-(4-pyrazol-1-ylphenyl)urea
CID 118786796
(2R)-N-[4-(tetrazol-1-yl)phenyl]oxolane-2-carboxamide
CID 40986910
5-[[ethyl-[[(2S)-oxan-2-yl]methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide
CID 126450011
1-ethyl-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[[(2S)-oxan-2-yl]methyl]urea
CID 126441863
1-ethyl-1-[[(2S)-oxan-2-yl]methyl]-3-(3-sulfamoylphenyl)urea
CID 97271790
N-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)benzamide
CID 99940406
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide
CID 95303165
methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate
CID 95314849
1-ethyl-3-(2-methylsulfanylphenyl)-1-(oxan-2-ylmethyl)urea
CID 131892608
2-[2-[ethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 47074506

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(oxan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]urea?
The IUPAC name of 1-ethyl-1-(oxan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]urea (CID 72912485) is 1-ethyl-1-(oxan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-ethyl-1-(oxan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-ethyl-1-(oxan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]urea is CCN(CC1CCCCO1)C(=O)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 1-ethyl-1-(oxan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]urea?
The InChIKey is OCGVDJWBPJMJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-2-21(11-15-5-3-4-10-24-15)16(23)18-13-6-8-14(9-7-13)22-12-17-19-20-22/h6-9,12,15H,2-5,10-11H2,1H3,(H,18,23).
What are the key properties of 1-ethyl-1-(oxan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]urea?
1-ethyl-1-(oxan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]urea has a molecular weight of 330.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(oxan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]urea is sourced from PubChem (CID 72912485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).