1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[3-(1,2,4-oxadiazol-3-yl)phenyl]urea

C17H19N5O3 — CID 71973688

IUPAC1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[3-(1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCc1noc(C)c1CCCNC(=O)Nc1cccc(-c2ncon2)c1
InChIInChI=1S/C17H19N5O3/c1-11-15(12(2)25-21-11)7-4-8-18-17(23)20-14-6-3-5-13(9-14)16-19-10-24-22-16/h3,5-6,9-10H,4,7-8H2,1-2H3,(H2,18,20,23)
InChIKeyGQMQEPMXNDROBI-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.10
Rot. Bonds6

About 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[3-(1,2,4-oxadiazol-3-yl)phenyl]urea

1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[3-(1,2,4-oxadiazol-3-yl)phenyl]urea (PubChem CID 71973688) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[3-(1,2,4-oxadiazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[3-(1,2,4-oxadiazol-3-yl)phenyl]urea
PubChem CID71973688
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[3-(1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCc1noc(C)c1CCCNC(=O)Nc1cccc(-c2ncon2)c1
InChIInChI=1S/C17H19N5O3/c1-11-15(12(2)25-21-11)7-4-8-18-17(23)20-14-6-3-5-13(9-14)16-19-10-24-22-16/h3,5-6,9-10H,4,7-8H2,1-2H3,(H2,18,20,23)
InChIKeyGQMQEPMXNDROBI-UHFFFAOYSA-N
XLogP3.10
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
CID 118761432
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111976785
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(3-phenylphenyl)propanamide
CID 154860282
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 111976858
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-(3-ethynylphenyl)oxamide
CID 56803502
N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide
CID 82371371
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbenzamide
CID 110422781
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]urea
CID 118780012
1-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
CID 53005886
1-(3-methoxyphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea
CID 2738197
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
CID 97030496
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide
CID 135974780

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[3-(1,2,4-oxadiazol-3-yl)phenyl]urea?
The IUPAC name of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[3-(1,2,4-oxadiazol-3-yl)phenyl]urea (CID 71973688) is 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[3-(1,2,4-oxadiazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[3-(1,2,4-oxadiazol-3-yl)phenyl]urea?
The canonical SMILES for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[3-(1,2,4-oxadiazol-3-yl)phenyl]urea is Cc1noc(C)c1CCCNC(=O)Nc1cccc(-c2ncon2)c1.
What is the InChIKey of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[3-(1,2,4-oxadiazol-3-yl)phenyl]urea?
The InChIKey is GQMQEPMXNDROBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-11-15(12(2)25-21-11)7-4-8-18-17(23)20-14-6-3-5-13(9-14)16-19-10-24-22-16/h3,5-6,9-10H,4,7-8H2,1-2H3,(H2,18,20,23).
What are the key properties of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[3-(1,2,4-oxadiazol-3-yl)phenyl]urea?
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[3-(1,2,4-oxadiazol-3-yl)phenyl]urea has a molecular weight of 341.37 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[3-(1,2,4-oxadiazol-3-yl)phenyl]urea is sourced from PubChem (CID 71973688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).