1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(pyridin-3-ylmethyl)urea

C17H18N4O3 — CID 47039701

IUPAC1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1cccc(CN2CCOC2=O)c1
InChIInChI=1S/C17H18N4O3/c22-16(19-11-14-4-2-6-18-10-14)20-15-5-1-3-13(9-15)12-21-7-8-24-17(21)23/h1-6,9-10H,7-8,11-12H2,(H2,19,20,22)
InChIKeyAYLJPYMITKGADK-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.36
Rot. Bonds5

About 1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(pyridin-3-ylmethyl)urea

1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 47039701) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID47039701
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1cccc(CN2CCOC2=O)c1
InChIInChI=1S/C17H18N4O3/c22-16(19-11-14-4-2-6-18-10-14)20-15-5-1-3-13(9-15)12-21-7-8-24-17(21)23/h1-6,9-10H,7-8,11-12H2,(H2,19,20,22)
InChIKeyAYLJPYMITKGADK-UHFFFAOYSA-N
XLogP2.36
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 134056865
1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea
CID 94801412
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 61346078
N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide
CID 47039681
1-[3-[1-(methylamino)ethyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 61340343
3-[3-(pyridin-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
CID 43727252
1-(pyridin-3-ylmethyl)-3-(4-thiomorpholin-4-ylsulfonylphenyl)urea
CID 66610991
2-methyl-N-[3-oxo-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]anilino]propyl]cyclopropane-1-carboxamide
CID 47042436
3-(2,3-dichlorophenyl)-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]propanamide
CID 47042427
1-(4-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125675
4-(pyridin-3-ylmethylcarbamoylamino)benzenesulfonic acid
CID 127560849

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(pyridin-3-ylmethyl)urea (CID 47039701) is 1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)Nc1cccc(CN2CCOC2=O)c1.
What is the InChIKey of 1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is AYLJPYMITKGADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-16(19-11-14-4-2-6-18-10-14)20-15-5-1-3-13(9-15)12-21-7-8-24-17(21)23/h1-6,9-10H,7-8,11-12H2,(H2,19,20,22).
What are the key properties of 1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(pyridin-3-ylmethyl)urea?
1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 326.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 47039701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).