1-(3,4-dichlorophenyl)-3-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea

C14H14Cl2N4O3 — CID 125167570

IUPAC1-(3,4-dichlorophenyl)-3-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea
SMILESO=C(NCc1noc([C@@H]2CCCO2)n1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N4O3/c15-9-4-3-8(6-10(9)16)18-14(21)17-7-12-19-13(23-20-12)11-2-1-5-22-11/h3-4,6,11H,1-2,5,7H2,(H2,17,18,21)/t11-/m0/s1
InChIKeyIOTUMIHALXTLBC-NSHDSACASA-N
MW357.20 g/mol
LogP3.55
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea

1-(3,4-dichlorophenyl)-3-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea (PubChem CID 125167570) has the molecular formula C14H14Cl2N4O3 and a molecular weight of 357.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea
PubChem CID125167570
Molecular FormulaC14H14Cl2N4O3
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name1-(3,4-dichlorophenyl)-3-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea
SMILESO=C(NCc1noc([C@@H]2CCCO2)n1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N4O3/c15-9-4-3-8(6-10(9)16)18-14(21)17-7-12-19-13(23-20-12)11-2-1-5-22-11/h3-4,6,11H,1-2,5,7H2,(H2,17,18,21)/t11-/m0/s1
InChIKeyIOTUMIHALXTLBC-NSHDSACASA-N
XLogP3.55
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dichlorophenyl)-3-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea with MolForge

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Related Compounds

1-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 125162893
1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea
CID 97453495
1-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-(2-propan-2-ylphenyl)urea
CID 125167789
1-(3-chloro-2,6-dimethylphenyl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 97286117
1-(4-oxochromen-6-yl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 125157030
3-hydroxy-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 125437836
1-[3-(furan-2-yl)phenyl]-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 72926461
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 97271844
3,5-difluoro-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 118786622
7-fluoro-2-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide
CID 96571082
5-ethyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 125172135
N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 92903025

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea (CID 125167570) is 1-(3,4-dichlorophenyl)-3-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea is O=C(NCc1noc([C@@H]2CCCO2)n1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea?
The InChIKey is IOTUMIHALXTLBC-NSHDSACASA-N. The full InChI is InChI=1S/C14H14Cl2N4O3/c15-9-4-3-8(6-10(9)16)18-14(21)17-7-12-19-13(23-20-12)11-2-1-5-22-11/h3-4,6,11H,1-2,5,7H2,(H2,17,18,21)/t11-/m0/s1.
What are the key properties of 1-(3,4-dichlorophenyl)-3-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea?
1-(3,4-dichlorophenyl)-3-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea has a molecular weight of 357.20 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea is sourced from PubChem (CID 125167570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).