1-[4-(oxolan-3-yloxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea

C19H19F3N2O3 — CID 126776533

IUPAC1-[4-(oxolan-3-yloxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
SMILESO=C(Nc1ccc(OC2CCOC2)cc1)Nc1ccccc1CC(F)(F)F
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)11-13-3-1-2-4-17(13)24-18(25)23-14-5-7-15(8-6-14)27-16-9-10-26-12-16/h1-8,16H,9-12H2,(H2,23,24,25)
InChIKeyGEWBURZSSZUCIV-UHFFFAOYSA-N
MW380.37 g/mol
LogP4.60
Rot. Bonds5

About 1-[4-(oxolan-3-yloxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea

1-[4-(oxolan-3-yloxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea (PubChem CID 126776533) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 1-[4-(oxolan-3-yloxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(oxolan-3-yloxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
PubChem CID126776533
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name1-[4-(oxolan-3-yloxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
SMILESO=C(Nc1ccc(OC2CCOC2)cc1)Nc1ccccc1CC(F)(F)F
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)11-13-3-1-2-4-17(13)24-18(25)23-14-5-7-15(8-6-14)27-16-9-10-26-12-16/h1-8,16H,9-12H2,(H2,23,24,25)
InChIKeyGEWBURZSSZUCIV-UHFFFAOYSA-N
XLogP4.60
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(oxolan-3-yloxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea with MolForge

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Related Compounds

4-methyl-4-[[4-(oxolan-3-yloxy)phenyl]carbamoylamino]pentanoic acid
CID 122085302
2-amino-N-[4-(oxolan-3-yloxy)phenyl]-2-phenylpropanamide;hydrochloride
CID 120593039
2-(cyclopropylmethylamino)-N-[4-(oxolan-3-yloxy)phenyl]acetamide;hydrochloride
CID 119798675
2-amino-3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]propanamide;hydrochloride
CID 120990540
4-[(3R)-oxolan-3-yl]oxybenzoic acid
CID 95979365
N-[4-(oxolan-3-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119798692
(1R,2R,4S)-N-[4-[(3S)-oxolan-3-yl]oxyphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 99105095
(2S)-2-amino-4-methylsulfanyl-N-[4-(oxolan-3-yloxy)phenyl]butanamide
CID 119332202
1-[4-(oxolan-3-yloxy)phenyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 126792061
(2S,5R)-5-(aminomethyl)-N-[4-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide
CID 120794518
1-[3-(difluoromethylsulfonyl)phenyl]-3-[2-[(3S)-oxolan-3-yl]oxyphenyl]urea
CID 96542049
(2S,5R)-5-(aminomethyl)-N-[4-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120794517

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxolan-3-yloxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea?
The IUPAC name of 1-[4-(oxolan-3-yloxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea (CID 126776533) is 1-[4-(oxolan-3-yloxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea.
What is the SMILES notation for 1-[4-(oxolan-3-yloxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea?
The canonical SMILES for 1-[4-(oxolan-3-yloxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea is O=C(Nc1ccc(OC2CCOC2)cc1)Nc1ccccc1CC(F)(F)F.
What is the InChIKey of 1-[4-(oxolan-3-yloxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea?
The InChIKey is GEWBURZSSZUCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c20-19(21,22)11-13-3-1-2-4-17(13)24-18(25)23-14-5-7-15(8-6-14)27-16-9-10-26-12-16/h1-8,16H,9-12H2,(H2,23,24,25).
What are the key properties of 1-[4-(oxolan-3-yloxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea?
1-[4-(oxolan-3-yloxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea has a molecular weight of 380.37 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxolan-3-yloxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea is sourced from PubChem (CID 126776533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).