N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide

C16H16BrN3O3S — CID 86935770

IUPACN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide
SMILESO=C(CCCN1CCOC1=O)Nc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C16H16BrN3O3S/c17-12-4-1-3-11(9-12)13-10-24-15(18-13)19-14(21)5-2-6-20-7-8-23-16(20)22/h1,3-4,9-10H,2,5-8H2,(H,18,19,21)
InChIKeyGFVULZMVZAEPLY-UHFFFAOYSA-N
MW410.29 g/mol
LogP3.74
Rot. Bonds6

About N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide (PubChem CID 86935770) has the molecular formula C16H16BrN3O3S and a molecular weight of 410.29 g/mol. Its IUPAC name is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide.

Molecular Properties

Compound NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide
PubChem CID86935770
Molecular FormulaC16H16BrN3O3S
Molecular Weight410.29 g/mol
Exact Mass409.01
IUPAC NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide
SMILESO=C(CCCN1CCOC1=O)Nc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C16H16BrN3O3S/c17-12-4-1-3-11(9-12)13-10-24-15(18-13)19-14(21)5-2-6-20-7-8-23-16(20)22/h1,3-4,9-10H,2,5-8H2,(H,18,19,21)
InChIKeyGFVULZMVZAEPLY-UHFFFAOYSA-N
XLogP3.74
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.29
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 166686948
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55334183
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide
CID 112760877
2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196817
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 78852271
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55334288
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 78775295
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-pyrrol-1-ylbutanamide
CID 127255198
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 78775296
2-(2-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196895
N-[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 86980649
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119676953

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide?
The IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide (CID 86935770) is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide.
What is the SMILES notation for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide?
The canonical SMILES for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide is O=C(CCCN1CCOC1=O)Nc1nc(-c2cccc(Br)c2)cs1.
What is the InChIKey of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide?
The InChIKey is GFVULZMVZAEPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O3S/c17-12-4-1-3-11(9-12)13-10-24-15(18-13)19-14(21)5-2-6-20-7-8-23-16(20)22/h1,3-4,9-10H,2,5-8H2,(H,18,19,21).
What are the key properties of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide?
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide has a molecular weight of 410.29 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide is sourced from PubChem (CID 86935770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).