1-[1-(2-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea

C14H16ClN3O2 — CID 56825450

IUPAC1-[1-(2-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
SMILESCc1noc(C)c1NC(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C14H16ClN3O2/c1-8(11-6-4-5-7-12(11)15)16-14(19)17-13-9(2)18-20-10(13)3/h4-8H,1-3H3,(H2,16,17,19)
InChIKeyHJKZMQIYLPBZTL-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.83
Rot. Bonds3

About 1-[1-(2-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea

1-[1-(2-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea (PubChem CID 56825450) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
PubChem CID56825450
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name1-[1-(2-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
SMILESCc1noc(C)c1NC(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C14H16ClN3O2/c1-8(11-6-4-5-7-12(11)15)16-14(19)17-13-9(2)18-20-10(13)3/h4-8H,1-3H3,(H2,16,17,19)
InChIKeyHJKZMQIYLPBZTL-UHFFFAOYSA-N
XLogP3.83
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
CID 95571005
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170
(2R)-2-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid
CID 107314790
2-(2,6-dichlorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 51098104
3,5-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 18082542
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
1-(1,3-benzodioxol-5-yl)-3-[1-(2-chlorophenyl)ethyl]urea
CID 17182509
1-[1-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120831
3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-carboxamide
CID 75462133
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide
CID 81378427
(2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxypropanamide
CID 130616947
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea (CID 56825450) is 1-[1-(2-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea is Cc1noc(C)c1NC(=O)NC(C)c1ccccc1Cl.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea?
The InChIKey is HJKZMQIYLPBZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-8(11-6-4-5-7-12(11)15)16-14(19)17-13-9(2)18-20-10(13)3/h4-8H,1-3H3,(H2,16,17,19).
What are the key properties of 1-[1-(2-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea?
1-[1-(2-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea has a molecular weight of 293.75 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea is sourced from PubChem (CID 56825450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).