1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea

C17H21N5O3 — CID 126791783

IUPAC1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
SMILESCC(C)c1cc(NC(=O)Nc2ccc(CN3CCOC3=O)cc2)n[nH]1
InChIInChI=1S/C17H21N5O3/c1-11(2)14-9-15(21-20-14)19-16(23)18-13-5-3-12(4-6-13)10-22-7-8-25-17(22)24/h3-6,9,11H,7-8,10H2,1-2H3,(H3,18,19,20,21,23)
InChIKeyQWPCYETUMRMBPM-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.13
Rot. Bonds5

About 1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea

1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea (PubChem CID 126791783) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
PubChem CID126791783
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
SMILESCC(C)c1cc(NC(=O)Nc2ccc(CN3CCOC3=O)cc2)n[nH]1
InChIInChI=1S/C17H21N5O3/c1-11(2)14-9-15(21-20-14)19-16(23)18-13-5-3-12(4-6-13)10-22-7-8-25-17(22)24/h3-6,9,11H,7-8,10H2,1-2H3,(H3,18,19,20,21,23)
InChIKeyQWPCYETUMRMBPM-UHFFFAOYSA-N
XLogP3.13
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea?
The IUPAC name of 1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea (CID 126791783) is 1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea.
What is the SMILES notation for 1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea?
The canonical SMILES for 1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea is CC(C)c1cc(NC(=O)Nc2ccc(CN3CCOC3=O)cc2)n[nH]1.
What is the InChIKey of 1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea?
The InChIKey is QWPCYETUMRMBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11(2)14-9-15(21-20-14)19-16(23)18-13-5-3-12(4-6-13)10-22-7-8-25-17(22)24/h3-6,9,11H,7-8,10H2,1-2H3,(H3,18,19,20,21,23).
What are the key properties of 1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea?
1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea has a molecular weight of 343.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea is sourced from PubChem (CID 126791783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).