1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea

C16H19N5O3 — CID 118780664

IUPAC1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
SMILESCc1cnc(CN(C)C(=O)Nc2ccccc2N2CCOC2=O)[nH]1
InChIInChI=1S/C16H19N5O3/c1-11-9-17-14(18-11)10-20(2)15(22)19-12-5-3-4-6-13(12)21-7-8-24-16(21)23/h3-6,9H,7-8,10H2,1-2H3,(H,17,18)(H,19,22)
InChIKeyYTJYISFEXRKXMT-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.34
Rot. Bonds4

About 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea

1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea (PubChem CID 118780664) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
PubChem CID118780664
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
SMILESCc1cnc(CN(C)C(=O)Nc2ccccc2N2CCOC2=O)[nH]1
InChIInChI=1S/C16H19N5O3/c1-11-9-17-14(18-11)10-20(2)15(22)19-12-5-3-4-6-13(12)21-7-8-24-16(21)23/h3-6,9H,7-8,10H2,1-2H3,(H,17,18)(H,19,22)
InChIKeyYTJYISFEXRKXMT-UHFFFAOYSA-N
XLogP2.34
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The IUPAC name of 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea (CID 118780664) is 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea.
What is the SMILES notation for 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The canonical SMILES for 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea is Cc1cnc(CN(C)C(=O)Nc2ccccc2N2CCOC2=O)[nH]1.
What is the InChIKey of 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The InChIKey is YTJYISFEXRKXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-11-9-17-14(18-11)10-20(2)15(22)19-12-5-3-4-6-13(12)21-7-8-24-16(21)23/h3-6,9H,7-8,10H2,1-2H3,(H,17,18)(H,19,22).
What are the key properties of 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea has a molecular weight of 329.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea is sourced from PubChem (CID 118780664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).