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

C17H16ClN3O3 — CID 16922883

IUPAC1-(4-chlorophenyl)-3-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]urea
SMILESO=C(NCC1CN(c2ccccc2)C(=O)O1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O3/c18-12-6-8-13(9-7-12)20-16(22)19-10-15-11-21(17(23)24-15)14-4-2-1-3-5-14/h1-9,15H,10-11H2,(H2,19,20,22)
InChIKeyUAHMTPNMQXWHRO-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.49
Rot. Bonds4

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

1-(4-chlorophenyl)-3-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]urea (PubChem CID 16922883) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]urea
PubChem CID16922883
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name1-(4-chlorophenyl)-3-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]urea
SMILESO=C(NCC1CN(c2ccccc2)C(=O)O1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O3/c18-12-6-8-13(9-7-12)20-16(22)19-10-15-11-21(17(23)24-15)14-4-2-1-3-5-14/h1-9,15H,10-11H2,(H2,19,20,22)
InChIKeyUAHMTPNMQXWHRO-UHFFFAOYSA-N
XLogP3.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 16920496
1-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenylurea
CID 110327677
[(5S)-3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl N-(4-chlorophenyl)carbamate
CID 28562053
2-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920439
4-chloro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 16922365
1-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylurea
CID 110315593
2-(2,5-dichlorophenoxy)-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 110310958
but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90796180
1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-3-propylthiourea
CID 139799570
3-methylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide
CID 110632601
2-ethoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 16920412
ethyl 2-oxo-2-[[(5R)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methylamino]acetate
CID 40923689

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]urea (CID 16922883) is 1-(4-chlorophenyl)-3-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]urea is O=C(NCC1CN(c2ccccc2)C(=O)O1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]urea?
The InChIKey is UAHMTPNMQXWHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c18-12-6-8-13(9-7-12)20-16(22)19-10-15-11-21(17(23)24-15)14-4-2-1-3-5-14/h1-9,15H,10-11H2,(H2,19,20,22).
What are the key properties of 1-(4-chlorophenyl)-3-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]urea?
1-(4-chlorophenyl)-3-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]urea has a molecular weight of 345.79 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]urea is sourced from PubChem (CID 16922883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).