1-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]-3-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea

C16H18F3N5O3 — CID 166251008

IUPAC1-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]-3-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
SMILESO=C(NCC1CC(C(F)(F)F)=NO1)Nc1ccccc1CN1CCNC1=O
InChIInChI=1S/C16H18F3N5O3/c17-16(18,19)13-7-11(27-23-13)8-21-14(25)22-12-4-2-1-3-10(12)9-24-6-5-20-15(24)26/h1-4,11H,5-9H2,(H,20,26)(H2,21,22,25)
InChIKeyUCAFHWVCWQFIOV-UHFFFAOYSA-N
MW385.35 g/mol
LogP2.04
Rot. Bonds5

About 1-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]-3-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea

1-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]-3-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea (PubChem CID 166251008) has the molecular formula C16H18F3N5O3 and a molecular weight of 385.35 g/mol. Its IUPAC name is 1-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]-3-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]-3-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
PubChem CID166251008
Molecular FormulaC16H18F3N5O3
Molecular Weight385.35 g/mol
Exact Mass385.14
IUPAC Name1-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]-3-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
SMILESO=C(NCC1CC(C(F)(F)F)=NO1)Nc1ccccc1CN1CCNC1=O
InChIInChI=1S/C16H18F3N5O3/c17-16(18,19)13-7-11(27-23-13)8-21-14(25)22-12-4-2-1-3-10(12)9-24-6-5-20-15(24)26/h1-4,11H,5-9H2,(H,20,26)(H2,21,22,25)
InChIKeyUCAFHWVCWQFIOV-UHFFFAOYSA-N
XLogP2.04
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]-3-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?
The IUPAC name of 1-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]-3-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea (CID 166251008) is 1-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]-3-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea.
What is the SMILES notation for 1-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]-3-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?
The canonical SMILES for 1-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]-3-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea is O=C(NCC1CC(C(F)(F)F)=NO1)Nc1ccccc1CN1CCNC1=O.
What is the InChIKey of 1-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]-3-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?
The InChIKey is UCAFHWVCWQFIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O3/c17-16(18,19)13-7-11(27-23-13)8-21-14(25)22-12-4-2-1-3-10(12)9-24-6-5-20-15(24)26/h1-4,11H,5-9H2,(H,20,26)(H2,21,22,25).
What are the key properties of 1-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]-3-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?
1-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]-3-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea has a molecular weight of 385.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]-3-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea is sourced from PubChem (CID 166251008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).