1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(thiophen-2-ylmethyl)urea

C15H15N3O3S — CID 60545598

IUPAC1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)Nc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C15H15N3O3S/c19-14(16-10-13-2-1-9-22-13)17-11-3-5-12(6-4-11)18-7-8-21-15(18)20/h1-6,9H,7-8,10H2,(H2,16,17,19)
InChIKeyYHBBIESPGQVSJB-UHFFFAOYSA-N
MW317.37 g/mol
LogP3.03
Rot. Bonds4

About 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(thiophen-2-ylmethyl)urea

1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 60545598) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID60545598
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)Nc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C15H15N3O3S/c19-14(16-10-13-2-1-9-22-13)17-11-3-5-12(6-4-11)18-7-8-21-15(18)20/h1-6,9H,7-8,10H2,(H2,16,17,19)
InChIKeyYHBBIESPGQVSJB-UHFFFAOYSA-N
XLogP3.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(thiophen-2-ylmethyl)urea
CID 71791001
1-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 129470856
1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 55912125
1-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3-phenylurea
CID 90554045
1-(1,3-benzodioxol-5-yl)-3-(thiophen-2-ylmethyl)urea
CID 970506
1-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 25229699
1-[2-oxo-2-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]cycloheptane-1-carboxylic acid
CID 56798009
N-(4-cyclopropylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 123386905
1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 52732394
4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 2439556
N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 110618978
(E)-2-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylprop-2-enamide
CID 110425854

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(thiophen-2-ylmethyl)urea (CID 60545598) is 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)Nc1ccc(N2CCOC2=O)cc1.
What is the InChIKey of 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is YHBBIESPGQVSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c19-14(16-10-13-2-1-9-22-13)17-11-3-5-12(6-4-11)18-7-8-21-15(18)20/h1-6,9H,7-8,10H2,(H2,16,17,19).
What are the key properties of 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(thiophen-2-ylmethyl)urea?
1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 317.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 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)phenyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 60545598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).