3-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,1-dimethylurea

C13H15ClN4O2 — CID 110321568

IUPAC3-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C13H15ClN4O2/c1-18(2)13(19)15-8-7-11-16-17-12(20-11)9-5-3-4-6-10(9)14/h3-6H,7-8H2,1-2H3,(H,15,19)
InChIKeyNEXJZWPZHPFONH-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.20
Rot. Bonds4

About 3-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,1-dimethylurea

3-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,1-dimethylurea (PubChem CID 110321568) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,1-dimethylurea
PubChem CID110321568
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name3-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C13H15ClN4O2/c1-18(2)13(19)15-8-7-11-16-17-12(20-11)9-5-3-4-6-10(9)14/h3-6H,7-8H2,1-2H3,(H,15,19)
InChIKeyNEXJZWPZHPFONH-UHFFFAOYSA-N
XLogP2.20
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropanamide
CID 110321512
N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-difluorobenzamide
CID 110321560
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62139450
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide
CID 18859405
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide
CID 110334461
methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
CID 60670430
2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82159367
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319667
N-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 62162492
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropanoic acid
CID 62821774
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110334494
N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 110321583

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,1-dimethylurea (CID 110321568) is 3-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCc1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of 3-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,1-dimethylurea?
The InChIKey is NEXJZWPZHPFONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-18(2)13(19)15-8-7-11-16-17-12(20-11)9-5-3-4-6-10(9)14/h3-6H,7-8H2,1-2H3,(H,15,19).
What are the key properties of 3-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,1-dimethylurea?
3-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,1-dimethylurea has a molecular weight of 294.74 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 110321568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).