1-ethyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea

C16H22N4O2 — CID 39891547

IUPAC1-ethyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea
SMILESCCN(Cc1nonc1C)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C16H22N4O2/c1-5-20(10-15-12(4)18-22-19-15)16(21)17-14-8-6-13(7-9-14)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,17,21)
InChIKeyBDCRRTOGINWRSY-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.56
Rot. Bonds5

About 1-ethyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea

1-ethyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea (PubChem CID 39891547) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-ethyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-ethyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea
PubChem CID39891547
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-ethyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea
SMILESCCN(Cc1nonc1C)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C16H22N4O2/c1-5-20(10-15-12(4)18-22-19-15)16(21)17-14-8-6-13(7-9-14)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,17,21)
InChIKeyBDCRRTOGINWRSY-UHFFFAOYSA-N
XLogP3.56
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-(3-fluorophenyl)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea
CID 39854669
1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 112824402
1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341996
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 136929486
1-ethyl-3-[4-(1-hydroxyethyl)phenyl]-1-(thiophen-2-ylmethyl)urea
CID 61438232
3-[4-(diethylcarbamoylamino)phenyl]butanoic acid
CID 104501853
3-[4-(1-aminoethyl)phenyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea
CID 61438323
1-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)urea
CID 35520705
N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenoxyacetamide
CID 39854679
(2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119295830
6-N,6-N-diethyl-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109098987
1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea
CID 110896720

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-ethyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea (CID 39891547) is 1-ethyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-ethyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-ethyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea is CCN(Cc1nonc1C)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 1-ethyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea?
The InChIKey is BDCRRTOGINWRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-5-20(10-15-12(4)18-22-19-15)16(21)17-14-8-6-13(7-9-14)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,17,21).
What are the key properties of 1-ethyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea?
1-ethyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea has a molecular weight of 302.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 39891547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).