(2R)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-[(3-oxo-1,2-oxazol-5-yl)methyl]butanamide

C18H18ClN3O3S — CID 58441805

IUPAC(2R)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-[(3-oxo-1,2-oxazol-5-yl)methyl]butanamide
SMILESCC[C@H](Cc1cc(=O)[nH]o1)C(=O)N(C)c1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C18H18ClN3O3S/c1-3-11(8-12-9-16(23)21-25-12)17(24)22(2)18-20-15(10-26-18)13-6-4-5-7-14(13)19/h4-7,9-11H,3,8H2,1-2H3,(H,21,23)/t11-/m1/s1
InChIKeyRLPWSDWOBOIUJG-LLVKDONJSA-N
MW391.88 g/mol
LogP3.98
Rot. Bonds6

About (2R)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-[(3-oxo-1,2-oxazol-5-yl)methyl]butanamide

(2R)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-[(3-oxo-1,2-oxazol-5-yl)methyl]butanamide (PubChem CID 58441805) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is (2R)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-[(3-oxo-1,2-oxazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-[(3-oxo-1,2-oxazol-5-yl)methyl]butanamide
PubChem CID58441805
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC Name(2R)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-[(3-oxo-1,2-oxazol-5-yl)methyl]butanamide
SMILESCC[C@H](Cc1cc(=O)[nH]o1)C(=O)N(C)c1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C18H18ClN3O3S/c1-3-11(8-12-9-16(23)21-25-12)17(24)22(2)18-20-15(10-26-18)13-6-4-5-7-14(13)19/h4-7,9-11H,3,8H2,1-2H3,(H,21,23)/t11-/m1/s1
InChIKeyRLPWSDWOBOIUJG-LLVKDONJSA-N
XLogP3.98
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-[(3-oxo-1,2-oxazol-5-yl)methyl]butanamide?
The IUPAC name of (2R)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-[(3-oxo-1,2-oxazol-5-yl)methyl]butanamide (CID 58441805) is (2R)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-[(3-oxo-1,2-oxazol-5-yl)methyl]butanamide.
What is the SMILES notation for (2R)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-[(3-oxo-1,2-oxazol-5-yl)methyl]butanamide?
The canonical SMILES for (2R)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-[(3-oxo-1,2-oxazol-5-yl)methyl]butanamide is CC[C@H](Cc1cc(=O)[nH]o1)C(=O)N(C)c1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of (2R)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-[(3-oxo-1,2-oxazol-5-yl)methyl]butanamide?
The InChIKey is RLPWSDWOBOIUJG-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c1-3-11(8-12-9-16(23)21-25-12)17(24)22(2)18-20-15(10-26-18)13-6-4-5-7-14(13)19/h4-7,9-11H,3,8H2,1-2H3,(H,21,23)/t11-/m1/s1.
What are the key properties of (2R)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-[(3-oxo-1,2-oxazol-5-yl)methyl]butanamide?
(2R)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-[(3-oxo-1,2-oxazol-5-yl)methyl]butanamide has a molecular weight of 391.88 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-N-methyl-2-[(3-oxo-1,2-oxazol-5-yl)methyl]butanamide is sourced from PubChem (CID 58441805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).