1-(2-chloro-3-methoxyphenyl)-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea

C15H18ClN3O3 — CID 72850966

IUPAC1-(2-chloro-3-methoxyphenyl)-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea
SMILESCCCc1cc(CNC(=O)Nc2cccc(OC)c2Cl)on1
InChIInChI=1S/C15H18ClN3O3/c1-3-5-10-8-11(22-19-10)9-17-15(20)18-12-6-4-7-13(21-2)14(12)16/h4,6-8H,3,5,9H2,1-2H3,(H2,17,18,20)
InChIKeyNSPTZJZLZWGNRS-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.61
Rot. Bonds6

About 1-(2-chloro-3-methoxyphenyl)-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea

1-(2-chloro-3-methoxyphenyl)-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea (PubChem CID 72850966) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 1-(2-chloro-3-methoxyphenyl)-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-chloro-3-methoxyphenyl)-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea
PubChem CID72850966
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name1-(2-chloro-3-methoxyphenyl)-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea
SMILESCCCc1cc(CNC(=O)Nc2cccc(OC)c2Cl)on1
InChIInChI=1S/C15H18ClN3O3/c1-3-5-10-8-11(22-19-10)9-17-15(20)18-12-6-4-7-13(21-2)14(12)16/h4,6-8H,3,5,9H2,1-2H3,(H2,17,18,20)
InChIKeyNSPTZJZLZWGNRS-UHFFFAOYSA-N
XLogP3.61
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-methyl-3-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoylamino]benzamide
CID 118768981
methyl 4-methoxy-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoylamino]benzoate
CID 118785711
1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 3844619
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea
CID 72898179
1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea
CID 72902026
1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 146080768
1-(2-chloro-3-pyridinyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 71989228
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 111785211
2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]benzoic acid
CID 62949243
N-[2-(ethylaminomethyl)phenyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156185
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea
CID 121016835
N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 91784738

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methoxyphenyl)-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea?
The IUPAC name of 1-(2-chloro-3-methoxyphenyl)-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea (CID 72850966) is 1-(2-chloro-3-methoxyphenyl)-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(2-chloro-3-methoxyphenyl)-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea?
The canonical SMILES for 1-(2-chloro-3-methoxyphenyl)-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea is CCCc1cc(CNC(=O)Nc2cccc(OC)c2Cl)on1.
What is the InChIKey of 1-(2-chloro-3-methoxyphenyl)-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea?
The InChIKey is NSPTZJZLZWGNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-3-5-10-8-11(22-19-10)9-17-15(20)18-12-6-4-7-13(21-2)14(12)16/h4,6-8H,3,5,9H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(2-chloro-3-methoxyphenyl)-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea?
1-(2-chloro-3-methoxyphenyl)-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea has a molecular weight of 323.78 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methoxyphenyl)-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 72850966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).