1-(2,5-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea

C10H7Cl2N3O2 — CID 108813934

IUPAC1-(2,5-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea
SMILESO=C(Nc1ccno1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H7Cl2N3O2/c11-6-1-2-7(12)8(5-6)14-10(16)15-9-3-4-13-17-9/h1-5H,(H2,14,15,16)
InChIKeyGJKDPAJISSBDJM-UHFFFAOYSA-N
MW272.09 g/mol
LogP3.63
Rot. Bonds2

About 1-(2,5-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea

1-(2,5-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea (PubChem CID 108813934) has the molecular formula C10H7Cl2N3O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea
PubChem CID108813934
Molecular FormulaC10H7Cl2N3O2
Molecular Weight272.09 g/mol
Exact Mass270.99
IUPAC Name1-(2,5-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea
SMILESO=C(Nc1ccno1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H7Cl2N3O2/c11-6-1-2-7(12)8(5-6)14-10(16)15-9-3-4-13-17-9/h1-5H,(H2,14,15,16)
InChIKeyGJKDPAJISSBDJM-UHFFFAOYSA-N
XLogP3.63
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108886224
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435
1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea
CID 64994195
2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide
CID 142639963
3-[(2,5-dichlorophenyl)carbamoylamino]pyrazine-2-carboxylic acid
CID 63260352
1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea
CID 75369271
1-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65313053
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide
CID 43145990
1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108886172
1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 108886097
1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea
CID 113492767
1-(2,5-dichlorophenyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
CID 104620466

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea (CID 108813934) is 1-(2,5-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea is O=C(Nc1ccno1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea?
The InChIKey is GJKDPAJISSBDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2/c11-6-1-2-7(12)8(5-6)14-10(16)15-9-3-4-13-17-9/h1-5H,(H2,14,15,16).
What are the key properties of 1-(2,5-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea?
1-(2,5-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea has a molecular weight of 272.09 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea is sourced from PubChem (CID 108813934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).