1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]urea

C18H17FN4O2 — CID 167830383

IUPAC1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]urea
SMILESCc1ccc(-c2noc(NC(=O)N[C@H](C)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H17FN4O2/c1-11-3-5-14(6-4-11)16-21-18(25-23-16)22-17(24)20-12(2)13-7-9-15(19)10-8-13/h3-10,12H,1-2H3,(H2,20,21,22,23,24)/t12-/m1/s1
InChIKeyCLSKVZNIAVZTKN-GFCCVEGCSA-N
MW340.36 g/mol
LogP4.07
Rot. Bonds4

About 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]urea

1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]urea (PubChem CID 167830383) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]urea
PubChem CID167830383
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]urea
SMILESCc1ccc(-c2noc(NC(=O)N[C@H](C)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H17FN4O2/c1-11-3-5-14(6-4-11)16-21-18(25-23-16)22-17(24)20-12(2)13-7-9-15(19)10-8-13/h3-10,12H,1-2H3,(H2,20,21,22,23,24)/t12-/m1/s1
InChIKeyCLSKVZNIAVZTKN-GFCCVEGCSA-N
XLogP4.07
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101349
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9426673
1-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(3-methylbutan-2-yl)urea
CID 49261280
1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778299
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100754420
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 27660244
N-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 59170223
1-butan-2-yl-3-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50778401
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 39818945
6-(4-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 93070978
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
2-ethyl-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 95149201

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]urea?
The IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]urea (CID 167830383) is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]urea.
What is the SMILES notation for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]urea?
The canonical SMILES for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]urea is Cc1ccc(-c2noc(NC(=O)N[C@H](C)c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]urea?
The InChIKey is CLSKVZNIAVZTKN-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-11-3-5-14(6-4-11)16-21-18(25-23-16)22-17(24)20-12(2)13-7-9-15(19)10-8-13/h3-10,12H,1-2H3,(H2,20,21,22,23,24)/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]urea?
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]urea has a molecular weight of 340.36 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]urea is sourced from PubChem (CID 167830383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).