1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-3-propylthiourea

C14H19N3O2S — CID 139799570

IUPAC1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-3-propylthiourea
SMILESCCCNC(=S)NC[C@H]1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C14H19N3O2S/c1-2-8-15-13(20)16-9-12-10-17(14(18)19-12)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H2,15,16,20)/t12-/m0/s1
InChIKeyAYRJJFWCNIUOJG-LBPRGKRZSA-N
MW293.39 g/mol
LogP1.89
Rot. Bonds5

About 1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-3-propylthiourea

1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-3-propylthiourea (PubChem CID 139799570) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-3-propylthiourea.

Molecular Properties

Compound Name1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-3-propylthiourea
PubChem CID139799570
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-3-propylthiourea
SMILESCCCNC(=S)NC[C@H]1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C14H19N3O2S/c1-2-8-15-13(20)16-9-12-10-17(14(18)19-12)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H2,15,16,20)/t12-/m0/s1
InChIKeyAYRJJFWCNIUOJG-LBPRGKRZSA-N
XLogP1.89
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-oxo-2-[[(5R)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methylamino]acetate
CID 40923689
2-ethoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 16920412
but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90796180
N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 51453772
3-methylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide
CID 110632601
N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-3-phenylbutanamide
CID 110632574
2-cyclopropyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-2-phenylacetamide
CID 110632599
1-(4-chlorophenyl)-3-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]urea
CID 16922883
1-methyl-3-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiourea
CID 10291524
2-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920439
2-methoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920424
1-methyl-3-[[(5S)-2-oxo-3-(4-thiomorpholin-4-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiourea
CID 139799541

Frequently Asked Questions

What is the IUPAC name of 1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-3-propylthiourea?
The IUPAC name of 1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-3-propylthiourea (CID 139799570) is 1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-3-propylthiourea.
What is the SMILES notation for 1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-3-propylthiourea?
The canonical SMILES for 1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-3-propylthiourea is CCCNC(=S)NC[C@H]1CN(c2ccccc2)C(=O)O1.
What is the InChIKey of 1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-3-propylthiourea?
The InChIKey is AYRJJFWCNIUOJG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-2-8-15-13(20)16-9-12-10-17(14(18)19-12)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H2,15,16,20)/t12-/m0/s1.
What are the key properties of 1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-3-propylthiourea?
1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-3-propylthiourea has a molecular weight of 293.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-3-propylthiourea is sourced from PubChem (CID 139799570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).