1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea

C19H17F2N3O4 — CID 87007797

IUPAC1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2ncc(-c3ccccc3)o2)cc1OC(F)F
InChIInChI=1S/C19H17F2N3O4/c1-26-14-8-7-13(9-15(14)28-18(20)21)24-19(25)23-11-17-22-10-16(27-17)12-5-3-2-4-6-12/h2-10,18H,11H2,1H3,(H2,23,24,25)
InChIKeyXACMZMUPDCGPMM-UHFFFAOYSA-N
MW389.36 g/mol
LogP4.27
Rot. Bonds7

About 1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea

1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea (PubChem CID 87007797) has the molecular formula C19H17F2N3O4 and a molecular weight of 389.36 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
PubChem CID87007797
Molecular FormulaC19H17F2N3O4
Molecular Weight389.36 g/mol
Exact Mass389.12
IUPAC Name1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2ncc(-c3ccccc3)o2)cc1OC(F)F
InChIInChI=1S/C19H17F2N3O4/c1-26-14-8-7-13(9-15(14)28-18(20)21)24-19(25)23-11-17-22-10-16(27-17)12-5-3-2-4-6-12/h2-10,18H,11H2,1H3,(H2,23,24,25)
InChIKeyXACMZMUPDCGPMM-UHFFFAOYSA-N
XLogP4.27
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 86924588
2,5-dimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
CID 86980175
1-(2-methylsulfanylphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 87007829
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 46540426
1-[3-(benzylsulfinylmethyl)phenyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 86962676
N-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 33308762
1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 32523814
N-[4-(difluoromethoxy)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55487102
1-tert-butyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 78842481
1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 971285
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide
CID 24652292
1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 110936606

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
The IUPAC name of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea (CID 87007797) is 1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
The canonical SMILES for 1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea is COc1ccc(NC(=O)NCc2ncc(-c3ccccc3)o2)cc1OC(F)F.
What is the InChIKey of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
The InChIKey is XACMZMUPDCGPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O4/c1-26-14-8-7-13(9-15(14)28-18(20)21)24-19(25)23-11-17-22-10-16(27-17)12-5-3-2-4-6-12/h2-10,18H,11H2,1H3,(H2,23,24,25).
What are the key properties of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea has a molecular weight of 389.36 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea is sourced from PubChem (CID 87007797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).