1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2-pyridin-4-ylethyl)urea

C18H17ClN4O2 — CID 2797859

IUPAC1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2-pyridin-4-ylethyl)urea
SMILESCc1onc(-c2ccccc2Cl)c1NC(=O)NCCc1ccncc1
InChIInChI=1S/C18H17ClN4O2/c1-12-16(17(23-25-12)14-4-2-3-5-15(14)19)22-18(24)21-11-8-13-6-9-20-10-7-13/h2-7,9-10H,8,11H2,1H3,(H2,21,22,24)
InChIKeyHQWZSAMZJFKUIY-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.06
Rot. Bonds5

About 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2-pyridin-4-ylethyl)urea

1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2-pyridin-4-ylethyl)urea (PubChem CID 2797859) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2-pyridin-4-ylethyl)urea
PubChem CID2797859
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2-pyridin-4-ylethyl)urea
SMILESCc1onc(-c2ccccc2Cl)c1NC(=O)NCCc1ccncc1
InChIInChI=1S/C18H17ClN4O2/c1-12-16(17(23-25-12)14-4-2-3-5-15(14)19)22-18(24)21-11-8-13-6-9-20-10-7-13/h2-7,9-10H,8,11H2,1H3,(H2,21,22,24)
InChIKeyHQWZSAMZJFKUIY-UHFFFAOYSA-N
XLogP4.06
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2-pyridin-4-ylethyl)urea?
The IUPAC name of 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2-pyridin-4-ylethyl)urea (CID 2797859) is 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2-pyridin-4-ylethyl)urea is Cc1onc(-c2ccccc2Cl)c1NC(=O)NCCc1ccncc1.
What is the InChIKey of 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2-pyridin-4-ylethyl)urea?
The InChIKey is HQWZSAMZJFKUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-12-16(17(23-25-12)14-4-2-3-5-15(14)19)22-18(24)21-11-8-13-6-9-20-10-7-13/h2-7,9-10H,8,11H2,1H3,(H2,21,22,24).
What are the key properties of 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2-pyridin-4-ylethyl)urea?
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2-pyridin-4-ylethyl)urea has a molecular weight of 356.81 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2-pyridin-4-ylethyl)urea is sourced from PubChem (CID 2797859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).