1-[3-(2-methylpropoxy)propyl]-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea

C16H22N4O3 — CID 47033564

IUPAC1-[3-(2-methylpropoxy)propyl]-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCC(C)COCCCNC(=O)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C16H22N4O3/c1-12(2)10-22-8-4-7-17-16(21)19-14-6-3-5-13(9-14)15-20-18-11-23-15/h3,5-6,9,11-12H,4,7-8,10H2,1-2H3,(H2,17,19,21)
InChIKeyQMTJHOXQXNRCSD-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.92
Rot. Bonds8

About 1-[3-(2-methylpropoxy)propyl]-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea

1-[3-(2-methylpropoxy)propyl]-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea (PubChem CID 47033564) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[3-(2-methylpropoxy)propyl]-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(2-methylpropoxy)propyl]-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
PubChem CID47033564
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-[3-(2-methylpropoxy)propyl]-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCC(C)COCCCNC(=O)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C16H22N4O3/c1-12(2)10-22-8-4-7-17-16(21)19-14-6-3-5-13(9-14)15-20-18-11-23-15/h3,5-6,9,11-12H,4,7-8,10H2,1-2H3,(H2,17,19,21)
InChIKeyQMTJHOXQXNRCSD-UHFFFAOYSA-N
XLogP2.92
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-iodophenyl)-3-[3-(2-methylpropoxy)propyl]urea
CID 47133549
3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 62838743
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 114897786
3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 55049776
1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 47033580
1-(4-tert-butylphenyl)-3-[3-(2-methylpropoxy)propyl]urea
CID 52543250
1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 47049920
3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide
CID 51278231
(2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 103929614
1-[3-(2-methylpropoxy)propyl]-3-(4-nitrophenyl)urea
CID 46493828
3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 87002332
3-methoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
CID 86983478

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropoxy)propyl]-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea?
The IUPAC name of 1-[3-(2-methylpropoxy)propyl]-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea (CID 47033564) is 1-[3-(2-methylpropoxy)propyl]-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-[3-(2-methylpropoxy)propyl]-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-[3-(2-methylpropoxy)propyl]-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea is CC(C)COCCCNC(=O)Nc1cccc(-c2nnco2)c1.
What is the InChIKey of 1-[3-(2-methylpropoxy)propyl]-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea?
The InChIKey is QMTJHOXQXNRCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-12(2)10-22-8-4-7-17-16(21)19-14-6-3-5-13(9-14)15-20-18-11-23-15/h3,5-6,9,11-12H,4,7-8,10H2,1-2H3,(H2,17,19,21).
What are the key properties of 1-[3-(2-methylpropoxy)propyl]-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea?
1-[3-(2-methylpropoxy)propyl]-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea has a molecular weight of 318.38 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropoxy)propyl]-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea is sourced from PubChem (CID 47033564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).