N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(2-phenyl-1,3-thiazol-4-yl)propanamide

C19H21N3O3S — CID 110634129

IUPACN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1csc(-c2ccccc2)n1)NCC1CN(C2CC2)C(=O)O1
InChIInChI=1S/C19H21N3O3S/c23-17(20-10-16-11-22(15-7-8-15)19(24)25-16)9-6-14-12-26-18(21-14)13-4-2-1-3-5-13/h1-5,12,15-16H,6-11H2,(H,20,23)
InChIKeyORGSAUMGBZTHJE-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.84
Rot. Bonds7

About N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(2-phenyl-1,3-thiazol-4-yl)propanamide

N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(2-phenyl-1,3-thiazol-4-yl)propanamide (PubChem CID 110634129) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(2-phenyl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
PubChem CID110634129
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1csc(-c2ccccc2)n1)NCC1CN(C2CC2)C(=O)O1
InChIInChI=1S/C19H21N3O3S/c23-17(20-10-16-11-22(15-7-8-15)19(24)25-16)9-6-14-12-26-18(21-14)13-4-2-1-3-5-13/h1-5,12,15-16H,6-11H2,(H,20,23)
InChIKeyORGSAUMGBZTHJE-UHFFFAOYSA-N
XLogP2.84
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(2-phenyl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(2-phenyl-1,3-thiazol-4-yl)propanamide (CID 110634129) is N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(2-phenyl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(2-phenyl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(2-phenyl-1,3-thiazol-4-yl)propanamide is O=C(CCc1csc(-c2ccccc2)n1)NCC1CN(C2CC2)C(=O)O1.
What is the InChIKey of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(2-phenyl-1,3-thiazol-4-yl)propanamide?
The InChIKey is ORGSAUMGBZTHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-17(20-10-16-11-22(15-7-8-15)19(24)25-16)9-6-14-12-26-18(21-14)13-4-2-1-3-5-13/h1-5,12,15-16H,6-11H2,(H,20,23).
What are the key properties of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(2-phenyl-1,3-thiazol-4-yl)propanamide?
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(2-phenyl-1,3-thiazol-4-yl)propanamide has a molecular weight of 371.46 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(2-phenyl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110634129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).