1-(2,6-difluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea

C23H17F2N3O2 — CID 16664736

IUPAC1-(2,6-difluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea
SMILESCc1ccc(-c2cnco2)cc1-c1ccc(NC(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C23H17F2N3O2/c1-14-5-6-16(21-12-26-13-30-21)11-18(14)15-7-9-17(10-8-15)27-23(29)28-22-19(24)3-2-4-20(22)25/h2-13H,1H3,(H2,27,28,29)
InChIKeyDUKPASWBSFGHOC-UHFFFAOYSA-N
MW405.40 g/mol
LogP6.24
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea

1-(2,6-difluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea (PubChem CID 16664736) has the molecular formula C23H17F2N3O2 and a molecular weight of 405.40 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea
PubChem CID16664736
Molecular FormulaC23H17F2N3O2
Molecular Weight405.40 g/mol
Exact Mass405.13
IUPAC Name1-(2,6-difluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea
SMILESCc1ccc(-c2cnco2)cc1-c1ccc(NC(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C23H17F2N3O2/c1-14-5-6-16(21-12-26-13-30-21)11-18(14)15-7-9-17(10-8-15)27-23(29)28-22-19(24)3-2-4-20(22)25/h2-13H,1H3,(H2,27,28,29)
InChIKeyDUKPASWBSFGHOC-UHFFFAOYSA-N
XLogP6.24
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.40
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-difluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(5-oxazolyl)phenyl]benzamide
CID 2739167
2,4-difluoro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 2739169
1-Cycloheptyl-1-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10526683
8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}-3,4-dihydronaphthalen-2(1H)-one
CID 11955840
N1-[5-(4-Trifluoromethylphenyl)oxazol-2-yl]-5,6,7,8-tetrahydronaphthalene-1,7-diamine
CID 11964241
8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11964255
8-(5-p-Tolyloxazol-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11964262
8-(5-m-Tolyloxazol-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11964285
1-(3,3-Diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[3-(1,3-oxazol-5-yl)phenyl]urea
CID 16112870
1-(4-Oxazol-5-yl-phenyl)-3-m-tolyl-urea
CID 22946285
1-{3-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-3-(3-oxazol-5-yl-phenyl)-urea
CID 44290029
N-(diaminomethylidene)-4-[1-[4-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 58269650

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea (CID 16664736) is 1-(2,6-difluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea is Cc1ccc(-c2cnco2)cc1-c1ccc(NC(=O)Nc2c(F)cccc2F)cc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea?
The InChIKey is DUKPASWBSFGHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O2/c1-14-5-6-16(21-12-26-13-30-21)11-18(14)15-7-9-17(10-8-15)27-23(29)28-22-19(24)3-2-4-20(22)25/h2-13H,1H3,(H2,27,28,29).
What are the key properties of 1-(2,6-difluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea?
1-(2,6-difluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea has a molecular weight of 405.40 g/mol, XLogP of 6.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea is sourced from PubChem (CID 16664736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).