1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyridin-3-ylmethyl)urea

C18H18N4O2 — CID 60620242

IUPAC1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCCc1coc(-c2ccccc2)n1)NCc1cccnc1
InChIInChI=1S/C18H18N4O2/c23-18(21-12-14-5-4-9-19-11-14)20-10-8-16-13-24-17(22-16)15-6-2-1-3-7-15/h1-7,9,11,13H,8,10,12H2,(H2,20,21,23)
InChIKeyYWKWPACTUOKUEA-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.78
Rot. Bonds6

About 1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyridin-3-ylmethyl)urea

1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 60620242) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID60620242
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCCc1coc(-c2ccccc2)n1)NCc1cccnc1
InChIInChI=1S/C18H18N4O2/c23-18(21-12-14-5-4-9-19-11-14)20-10-8-16-13-24-17(22-16)15-6-2-1-3-7-15/h1-7,9,11,13H,8,10,12H2,(H2,20,21,23)
InChIKeyYWKWPACTUOKUEA-UHFFFAOYSA-N
XLogP2.78
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 166211099
1-(3-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507627
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide
CID 110681421
5-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 17441319
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 50848268
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 56671971
5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431716
1-(pyridin-3-ylmethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 36873268
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 56824094
3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide
CID 97443263

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyridin-3-ylmethyl)urea (CID 60620242) is 1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyridin-3-ylmethyl)urea is O=C(NCCc1coc(-c2ccccc2)n1)NCc1cccnc1.
What is the InChIKey of 1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is YWKWPACTUOKUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-18(21-12-14-5-4-9-19-11-14)20-10-8-16-13-24-17(22-16)15-6-2-1-3-7-15/h1-7,9,11,13H,8,10,12H2,(H2,20,21,23).
What are the key properties of 1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyridin-3-ylmethyl)urea?
1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 322.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 60620242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).