1-(2,5-dichlorophenyl)-3-[(1R)-1-(1,2-oxazol-3-yl)ethyl]urea

C12H11Cl2N3O2 — CID 97258252

IUPAC1-(2,5-dichlorophenyl)-3-[(1R)-1-(1,2-oxazol-3-yl)ethyl]urea
SMILESC[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ccon1
InChIInChI=1S/C12H11Cl2N3O2/c1-7(10-4-5-19-17-10)15-12(18)16-11-6-8(13)2-3-9(11)14/h2-7H,1H3,(H2,15,16,18)/t7-/m1/s1
InChIKeyXVKFKHNXDRCHKL-SSDOTTSWSA-N
MW300.15 g/mol
LogP3.86
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-3-[(1R)-1-(1,2-oxazol-3-yl)ethyl]urea

1-(2,5-dichlorophenyl)-3-[(1R)-1-(1,2-oxazol-3-yl)ethyl]urea (PubChem CID 97258252) has the molecular formula C12H11Cl2N3O2 and a molecular weight of 300.15 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-[(1R)-1-(1,2-oxazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-[(1R)-1-(1,2-oxazol-3-yl)ethyl]urea
PubChem CID97258252
Molecular FormulaC12H11Cl2N3O2
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name1-(2,5-dichlorophenyl)-3-[(1R)-1-(1,2-oxazol-3-yl)ethyl]urea
SMILESC[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ccon1
InChIInChI=1S/C12H11Cl2N3O2/c1-7(10-4-5-19-17-10)15-12(18)16-11-6-8(13)2-3-9(11)14/h2-7H,1H3,(H2,15,16,18)/t7-/m1/s1
InChIKeyXVKFKHNXDRCHKL-SSDOTTSWSA-N
XLogP3.86
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
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CID 65193306
1-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea
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CID 94831435
1-(2,5-dichlorophenyl)-3-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]urea
CID 100763909
N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide
CID 2988512
ethyl (3R)-3-[(2,5-dichlorophenyl)carbamoylamino]butanoate
CID 96542158
2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-[(1R)-1-(1,2-oxazol-3-yl)ethyl]urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-[(1R)-1-(1,2-oxazol-3-yl)ethyl]urea (CID 97258252) is 1-(2,5-dichlorophenyl)-3-[(1R)-1-(1,2-oxazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-[(1R)-1-(1,2-oxazol-3-yl)ethyl]urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-[(1R)-1-(1,2-oxazol-3-yl)ethyl]urea is C[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ccon1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-[(1R)-1-(1,2-oxazol-3-yl)ethyl]urea?
The InChIKey is XVKFKHNXDRCHKL-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2/c1-7(10-4-5-19-17-10)15-12(18)16-11-6-8(13)2-3-9(11)14/h2-7H,1H3,(H2,15,16,18)/t7-/m1/s1.
What are the key properties of 1-(2,5-dichlorophenyl)-3-[(1R)-1-(1,2-oxazol-3-yl)ethyl]urea?
1-(2,5-dichlorophenyl)-3-[(1R)-1-(1,2-oxazol-3-yl)ethyl]urea has a molecular weight of 300.15 g/mol, XLogP of 3.86, 3 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-[(1R)-1-(1,2-oxazol-3-yl)ethyl]urea is sourced from PubChem (CID 97258252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).