1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(2-methylquinolin-4-yl)urea

C18H20N4O2 — CID 167787672

IUPAC1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(2-methylquinolin-4-yl)urea
SMILESCCc1onc(C)c1CNC(=O)Nc1cc(C)nc2ccccc12
InChIInChI=1S/C18H20N4O2/c1-4-17-14(12(3)22-24-17)10-19-18(23)21-16-9-11(2)20-15-8-6-5-7-13(15)16/h5-9H,4,10H2,1-3H3,(H2,19,20,21,23)
InChIKeyLSOBWWWCLYLDKL-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.72
Rot. Bonds4

About 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(2-methylquinolin-4-yl)urea

1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(2-methylquinolin-4-yl)urea (PubChem CID 167787672) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(2-methylquinolin-4-yl)urea.

Molecular Properties

Compound Name1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(2-methylquinolin-4-yl)urea
PubChem CID167787672
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(2-methylquinolin-4-yl)urea
SMILESCCc1onc(C)c1CNC(=O)Nc1cc(C)nc2ccccc12
InChIInChI=1S/C18H20N4O2/c1-4-17-14(12(3)22-24-17)10-19-18(23)21-16-9-11(2)20-15-8-6-5-7-13(15)16/h5-9H,4,10H2,1-3H3,(H2,19,20,21,23)
InChIKeyLSOBWWWCLYLDKL-UHFFFAOYSA-N
XLogP3.72
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-3-(2-methylquinolin-4-yl)urea
CID 115571496
1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-methylquinolin-4-yl)urea
CID 154770302
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide
CID 43146054
1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea
CID 21177304
2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide
CID 53319759
1-(2-methylquinolin-4-yl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 10150609
N-(2-methylquinolin-4-yl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574215
3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide
CID 62833896
1-(3-hydroxyphenyl)-3-(2-methylquinolin-4-yl)urea
CID 22745166
1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]urea
CID 138054205
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(2-methylquinolin-4-yl)urea?
The IUPAC name of 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(2-methylquinolin-4-yl)urea (CID 167787672) is 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(2-methylquinolin-4-yl)urea.
What is the SMILES notation for 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(2-methylquinolin-4-yl)urea?
The canonical SMILES for 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(2-methylquinolin-4-yl)urea is CCc1onc(C)c1CNC(=O)Nc1cc(C)nc2ccccc12.
What is the InChIKey of 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(2-methylquinolin-4-yl)urea?
The InChIKey is LSOBWWWCLYLDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-4-17-14(12(3)22-24-17)10-19-18(23)21-16-9-11(2)20-15-8-6-5-7-13(15)16/h5-9H,4,10H2,1-3H3,(H2,19,20,21,23).
What are the key properties of 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(2-methylquinolin-4-yl)urea?
1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(2-methylquinolin-4-yl)urea has a molecular weight of 324.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(2-methylquinolin-4-yl)urea is sourced from PubChem (CID 167787672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).