1-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)urea

C17H15ClN4O2 — CID 46949495

IUPAC1-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)NCc1cc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C17H15ClN4O2/c18-14-5-1-4-13(7-14)16-8-15(24-22-16)11-21-17(23)20-10-12-3-2-6-19-9-12/h1-9H,10-11H2,(H2,20,21,23)
InChIKeyQFXCLKRGMIKUFF-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.39
Rot. Bonds5

About 1-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)urea

1-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 46949495) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 1-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID46949495
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name1-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)NCc1cc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C17H15ClN4O2/c18-14-5-1-4-13(7-14)16-8-15(24-22-16)11-21-17(23)20-10-12-3-2-6-19-9-12/h1-9H,10-11H2,(H2,20,21,23)
InChIKeyQFXCLKRGMIKUFF-UHFFFAOYSA-N
XLogP3.39
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-2-carboxamide
CID 46949493
3-(3-chlorophenyl)-N-pyridin-3-yl-1,2-oxazole-5-carboxamide
CID 46949489
N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]quinoxaline-2-carboxamide
CID 91795068
N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(methanesulfonamido)propanamide
CID 91837025
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453900
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715
1-(4-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125736
1-[(3-chlorophenyl)methyl]-3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]urea
CID 110302343
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 4050389
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947644
5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride
CID 53398877
1-[4-[(3-chlorophenyl)methylsulfonyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 149068915

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)urea (CID 46949495) is 1-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)NCc1cc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 1-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is QFXCLKRGMIKUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c18-14-5-1-4-13(7-14)16-8-15(24-22-16)11-21-17(23)20-10-12-3-2-6-19-9-12/h1-9H,10-11H2,(H2,20,21,23).
What are the key properties of 1-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)urea?
1-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 342.79 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 46949495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).