3-(2-chloro-3-pyridinyl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea

C12H14ClN5O2 — CID 72902706

IUPAC3-(2-chloro-3-pyridinyl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESCc1nc(CCN(C)C(=O)Nc2cccnc2Cl)no1
InChIInChI=1S/C12H14ClN5O2/c1-8-15-10(17-20-8)5-7-18(2)12(19)16-9-4-3-6-14-11(9)13/h3-4,6H,5,7H2,1-2H3,(H,16,19)
InChIKeyGNEHVGXSOUYYIH-UHFFFAOYSA-N
MW295.73 g/mol
LogP2.13
Rot. Bonds4

About 3-(2-chloro-3-pyridinyl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea

3-(2-chloro-3-pyridinyl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea (PubChem CID 72902706) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 3-(2-chloro-3-pyridinyl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name3-(2-chloro-3-pyridinyl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
PubChem CID72902706
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC Name3-(2-chloro-3-pyridinyl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESCc1nc(CCN(C)C(=O)Nc2cccnc2Cl)no1
InChIInChI=1S/C12H14ClN5O2/c1-8-15-10(17-20-8)5-7-18(2)12(19)16-9-4-3-6-14-11(9)13/h3-4,6H,5,7H2,1-2H3,(H,16,19)
InChIKeyGNEHVGXSOUYYIH-UHFFFAOYSA-N
XLogP2.13
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)-1-methylurea
CID 53055273
1-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-1-methyl-3-(2-methylphenyl)urea
CID 53055221
3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 46990331
3-[2-ethyl-5-(1,2,4-triazol-4-yl)phenyl]-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 118769054
1-methyl-3-(2-methylphenyl)-1-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 53055250
3-[2-(2-methoxyethoxy)phenyl]-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 118761101
3-(2-chloro-4-methylphenyl)-1-methyl-1-[2-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 20930883
3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea
CID 47435216
3-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 121499317
2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 113239631
1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-pyridin-3-yloxyphenyl)urea
CID 72841300
1-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methyl-3-phenylurea
CID 53055270

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-pyridinyl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The IUPAC name of 3-(2-chloro-3-pyridinyl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea (CID 72902706) is 3-(2-chloro-3-pyridinyl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea.
What is the SMILES notation for 3-(2-chloro-3-pyridinyl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The canonical SMILES for 3-(2-chloro-3-pyridinyl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea is Cc1nc(CCN(C)C(=O)Nc2cccnc2Cl)no1.
What is the InChIKey of 3-(2-chloro-3-pyridinyl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The InChIKey is GNEHVGXSOUYYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2/c1-8-15-10(17-20-8)5-7-18(2)12(19)16-9-4-3-6-14-11(9)13/h3-4,6H,5,7H2,1-2H3,(H,16,19).
What are the key properties of 3-(2-chloro-3-pyridinyl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
3-(2-chloro-3-pyridinyl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea has a molecular weight of 295.73 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-pyridinyl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea is sourced from PubChem (CID 72902706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).