1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea

C18H23FN4O2 — CID 48792643

IUPAC1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea
SMILESCc1nc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)oc1C
InChIInChI=1S/C18H23FN4O2/c1-12-13(2)25-18(20-12)22-17(24)21-16-7-9-23(10-8-16)11-14-3-5-15(19)6-4-14/h3-6,16H,7-11H2,1-2H3,(H2,20,21,22,24)
InChIKeyHBHNPGGMESZZQG-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.22
Rot. Bonds4

About 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea

1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea (PubChem CID 48792643) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea
PubChem CID48792643
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea
SMILESCc1nc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)oc1C
InChIInChI=1S/C18H23FN4O2/c1-12-13(2)25-18(20-12)22-17(24)21-16-7-9-23(10-8-16)11-14-3-5-15(19)6-4-14/h3-6,16H,7-11H2,1-2H3,(H2,20,21,22,24)
InChIKeyHBHNPGGMESZZQG-UHFFFAOYSA-N
XLogP3.22
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea (CID 48792643) is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea is Cc1nc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)oc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea?
The InChIKey is HBHNPGGMESZZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-12-13(2)25-18(20-12)22-17(24)21-16-7-9-23(10-8-16)11-14-3-5-15(19)6-4-14/h3-6,16H,7-11H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea?
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea has a molecular weight of 346.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea is sourced from PubChem (CID 48792643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).