1-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-naphthalen-1-ylurea

C22H18F3N3O3 — CID 25029773

IUPAC1-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-naphthalen-1-ylurea
SMILESO=C(NCc1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C22H18F3N3O3/c23-22(24,25)21(30)12-19(28-31-21)16-10-8-14(9-11-16)13-26-20(29)27-18-7-3-5-15-4-1-2-6-17(15)18/h1-11,30H,12-13H2,(H2,26,27,29)
InChIKeyURUIAYZNFVWYQZ-UHFFFAOYSA-N
MW429.40 g/mol
LogP4.54
Rot. Bonds4

About 1-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-naphthalen-1-ylurea

1-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-naphthalen-1-ylurea (PubChem CID 25029773) has the molecular formula C22H18F3N3O3 and a molecular weight of 429.40 g/mol. Its IUPAC name is 1-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-naphthalen-1-ylurea
PubChem CID25029773
Molecular FormulaC22H18F3N3O3
Molecular Weight429.40 g/mol
Exact Mass429.13
IUPAC Name1-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-naphthalen-1-ylurea
SMILESO=C(NCc1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C22H18F3N3O3/c23-22(24,25)21(30)12-19(28-31-21)16-10-8-14(9-11-16)13-26-20(29)27-18-7-3-5-15-4-1-2-6-17(15)18/h1-11,30H,12-13H2,(H2,26,27,29)
InChIKeyURUIAYZNFVWYQZ-UHFFFAOYSA-N
XLogP4.54
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-3-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]urea
CID 59652670
N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide
CID 59652423
1-benzyl-3-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]urea
CID 59652464
1-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-(2-methoxyphenyl)urea
CID 59652452
N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-phenylpropanamide
CID 59652404
1-(4-chlorophenyl)-3-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]urea
CID 59652635
4-(dimethylamino)-N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide
CID 59652547
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 59652669
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]quinoline-2-carboxamide
CID 59652607
1-(4-cyanophenyl)-3-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]urea
CID 59652617
(5R)-3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 690721
3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 2742980

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-naphthalen-1-ylurea (CID 25029773) is 1-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-naphthalen-1-ylurea is O=C(NCc1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1)Nc1cccc2ccccc12.
What is the InChIKey of 1-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-naphthalen-1-ylurea?
The InChIKey is URUIAYZNFVWYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O3/c23-22(24,25)21(30)12-19(28-31-21)16-10-8-14(9-11-16)13-26-20(29)27-18-7-3-5-15-4-1-2-6-17(15)18/h1-11,30H,12-13H2,(H2,26,27,29).
What are the key properties of 1-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-naphthalen-1-ylurea?
1-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-naphthalen-1-ylurea has a molecular weight of 429.40 g/mol, XLogP of 4.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 25029773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).