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

C19H23F2N3O2 — CID 139009628

IUPAC1-[1-(2,4-difluorophenyl)cyclopentyl]-3-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]urea
SMILESCCc1nc(C)c(CNC(=O)NC2(c3ccc(F)cc3F)CCCC2)o1
InChIInChI=1S/C19H23F2N3O2/c1-3-17-23-12(2)16(26-17)11-22-18(25)24-19(8-4-5-9-19)14-7-6-13(20)10-15(14)21/h6-7,10H,3-5,8-9,11H2,1-2H3,(H2,22,24,25)
InChIKeyRYWLHYIUIZDZCM-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.09
Rot. Bonds5

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

1-[1-(2,4-difluorophenyl)cyclopentyl]-3-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]urea (PubChem CID 139009628) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)cyclopentyl]-3-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)cyclopentyl]-3-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]urea
PubChem CID139009628
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name1-[1-(2,4-difluorophenyl)cyclopentyl]-3-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]urea
SMILESCCc1nc(C)c(CNC(=O)NC2(c3ccc(F)cc3F)CCCC2)o1
InChIInChI=1S/C19H23F2N3O2/c1-3-17-23-12(2)16(26-17)11-22-18(25)24-19(8-4-5-9-19)14-7-6-13(20)10-15(14)21/h6-7,10H,3-5,8-9,11H2,1-2H3,(H2,22,24,25)
InChIKeyRYWLHYIUIZDZCM-UHFFFAOYSA-N
XLogP4.09
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)cyclopentyl]-3-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]urea?
The IUPAC name of 1-[1-(2,4-difluorophenyl)cyclopentyl]-3-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]urea (CID 139009628) is 1-[1-(2,4-difluorophenyl)cyclopentyl]-3-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)cyclopentyl]-3-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]urea?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)cyclopentyl]-3-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]urea is CCc1nc(C)c(CNC(=O)NC2(c3ccc(F)cc3F)CCCC2)o1.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)cyclopentyl]-3-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]urea?
The InChIKey is RYWLHYIUIZDZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-3-17-23-12(2)16(26-17)11-22-18(25)24-19(8-4-5-9-19)14-7-6-13(20)10-15(14)21/h6-7,10H,3-5,8-9,11H2,1-2H3,(H2,22,24,25).
What are the key properties of 1-[1-(2,4-difluorophenyl)cyclopentyl]-3-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]urea?
1-[1-(2,4-difluorophenyl)cyclopentyl]-3-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]urea has a molecular weight of 363.41 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)cyclopentyl]-3-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 139009628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).