1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(2-fluorophenoxy)propyl]urea

C17H22FN3O3 — CID 95904909

IUPAC1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(2-fluorophenoxy)propyl]urea
SMILESCc1noc(C)c1[C@@H](C)NC(=O)NCCCOc1ccccc1F
InChIInChI=1S/C17H22FN3O3/c1-11(16-12(2)21-24-13(16)3)20-17(22)19-9-6-10-23-15-8-5-4-7-14(15)18/h4-5,7-8,11H,6,9-10H2,1-3H3,(H2,19,20,22)/t11-/m1/s1
InChIKeyDEWVJQRBHMLCTM-LLVKDONJSA-N
MW335.38 g/mol
LogP3.26
Rot. Bonds7

About 1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(2-fluorophenoxy)propyl]urea

1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(2-fluorophenoxy)propyl]urea (PubChem CID 95904909) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is 1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(2-fluorophenoxy)propyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(2-fluorophenoxy)propyl]urea
PubChem CID95904909
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(2-fluorophenoxy)propyl]urea
SMILESCc1noc(C)c1[C@@H](C)NC(=O)NCCCOc1ccccc1F
InChIInChI=1S/C17H22FN3O3/c1-11(16-12(2)21-24-13(16)3)20-17(22)19-9-6-10-23-15-8-5-4-7-14(15)18/h4-5,7-8,11H,6,9-10H2,1-3H3,(H2,19,20,22)/t11-/m1/s1
InChIKeyDEWVJQRBHMLCTM-LLVKDONJSA-N
XLogP3.26
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 39666367
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]butanamide
CID 95285859
2-(2-aminophenoxy)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 79224343
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-fluoro-6-hydroxybenzamide
CID 86797727
1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea
CID 112970219
1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 95904993
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid
CID 79242440
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
ethyl N-[1-[3-(2-fluorophenoxy)propylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 46456848
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111174196
1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]urea
CID 129432106

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(2-fluorophenoxy)propyl]urea?
The IUPAC name of 1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(2-fluorophenoxy)propyl]urea (CID 95904909) is 1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(2-fluorophenoxy)propyl]urea.
What is the SMILES notation for 1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(2-fluorophenoxy)propyl]urea?
The canonical SMILES for 1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(2-fluorophenoxy)propyl]urea is Cc1noc(C)c1[C@@H](C)NC(=O)NCCCOc1ccccc1F.
What is the InChIKey of 1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(2-fluorophenoxy)propyl]urea?
The InChIKey is DEWVJQRBHMLCTM-LLVKDONJSA-N. The full InChI is InChI=1S/C17H22FN3O3/c1-11(16-12(2)21-24-13(16)3)20-17(22)19-9-6-10-23-15-8-5-4-7-14(15)18/h4-5,7-8,11H,6,9-10H2,1-3H3,(H2,19,20,22)/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(2-fluorophenoxy)propyl]urea?
1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(2-fluorophenoxy)propyl]urea has a molecular weight of 335.38 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(2-fluorophenoxy)propyl]urea is sourced from PubChem (CID 95904909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).