1-[5-chloro-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[2-(dimethylamino)ethyl]urea

C16H20ClN5O2 — CID 75451147

IUPAC1-[5-chloro-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1
InChIInChI=1S/C16H20ClN5O2/c1-22(2)8-7-18-16(23)19-13-9-11(17)5-6-12(13)15-20-14(21-24-15)10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,18,19,23)
InChIKeyUSSMNNKCCZPXNR-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.95
Rot. Bonds6

About 1-[5-chloro-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[2-(dimethylamino)ethyl]urea

1-[5-chloro-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[2-(dimethylamino)ethyl]urea (PubChem CID 75451147) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 1-[5-chloro-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[2-(dimethylamino)ethyl]urea.

Molecular Properties

Compound Name1-[5-chloro-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[2-(dimethylamino)ethyl]urea
PubChem CID75451147
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name1-[5-chloro-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1
InChIInChI=1S/C16H20ClN5O2/c1-22(2)8-7-18-16(23)19-13-9-11(17)5-6-12(13)15-20-14(21-24-15)10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,18,19,23)
InChIKeyUSSMNNKCCZPXNR-UHFFFAOYSA-N
XLogP2.95
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-chloro-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[2-(dimethylamino)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[2-(dimethylamino)ethyl]urea?
The IUPAC name of 1-[5-chloro-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[2-(dimethylamino)ethyl]urea (CID 75451147) is 1-[5-chloro-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[2-(dimethylamino)ethyl]urea.
What is the SMILES notation for 1-[5-chloro-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[2-(dimethylamino)ethyl]urea?
The canonical SMILES for 1-[5-chloro-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[2-(dimethylamino)ethyl]urea is CN(C)CCNC(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1.
What is the InChIKey of 1-[5-chloro-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[2-(dimethylamino)ethyl]urea?
The InChIKey is USSMNNKCCZPXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-22(2)8-7-18-16(23)19-13-9-11(17)5-6-12(13)15-20-14(21-24-15)10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,18,19,23).
What are the key properties of 1-[5-chloro-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[2-(dimethylamino)ethyl]urea?
1-[5-chloro-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[2-(dimethylamino)ethyl]urea has a molecular weight of 349.82 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[2-(dimethylamino)ethyl]urea is sourced from PubChem (CID 75451147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).