(2R)-N-[3-(5-bromofuran-2-yl)-1,2-oxazol-5-yl]-2-thiophen-2-ylpropanamide

C14H11BrN2O3S — CID 97325087

IUPAC(2R)-N-[3-(5-bromofuran-2-yl)-1,2-oxazol-5-yl]-2-thiophen-2-ylpropanamide
SMILESC[C@H](C(=O)Nc1cc(-c2ccc(Br)o2)no1)c1cccs1
InChIInChI=1S/C14H11BrN2O3S/c1-8(11-3-2-6-21-11)14(18)16-13-7-9(17-20-13)10-4-5-12(15)19-10/h2-8H,1H3,(H,16,18)/t8-/m0/s1
InChIKeyRSQIOKVBLRYVRL-QMMMGPOBSA-N
MW367.22 g/mol
LogP4.50
Rot. Bonds4

About (2R)-N-[3-(5-bromofuran-2-yl)-1,2-oxazol-5-yl]-2-thiophen-2-ylpropanamide

(2R)-N-[3-(5-bromofuran-2-yl)-1,2-oxazol-5-yl]-2-thiophen-2-ylpropanamide (PubChem CID 97325087) has the molecular formula C14H11BrN2O3S and a molecular weight of 367.22 g/mol. Its IUPAC name is (2R)-N-[3-(5-bromofuran-2-yl)-1,2-oxazol-5-yl]-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[3-(5-bromofuran-2-yl)-1,2-oxazol-5-yl]-2-thiophen-2-ylpropanamide
PubChem CID97325087
Molecular FormulaC14H11BrN2O3S
Molecular Weight367.22 g/mol
Exact Mass365.97
IUPAC Name(2R)-N-[3-(5-bromofuran-2-yl)-1,2-oxazol-5-yl]-2-thiophen-2-ylpropanamide
SMILESC[C@H](C(=O)Nc1cc(-c2ccc(Br)o2)no1)c1cccs1
InChIInChI=1S/C14H11BrN2O3S/c1-8(11-3-2-6-21-11)14(18)16-13-7-9(17-20-13)10-4-5-12(15)19-10/h2-8H,1H3,(H,16,18)/t8-/m0/s1
InChIKeyRSQIOKVBLRYVRL-QMMMGPOBSA-N
XLogP4.50
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(furan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
CID 58182046
5-bromo-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)furan-2-carboxamide
CID 53143253
N-(thiadiazol-5-yl)-2-thiophen-2-ylpropanamide
CID 102562225
N-[3-(furan-2-yl)-1,2-oxazol-5-yl]thiophene-2-carboxamide
CID 53143213
(2R)-N-[2-(methylaminomethyl)phenyl]-2-thiophen-2-ylpropanamide
CID 99776048
2-bromo-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]butanamide
CID 91871870
(2S)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide
CID 95095095
2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide
CID 53143270
(2R)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide
CID 95095096
5-(2-thiophen-2-ylpropanoylamino)-1H-indazole-3-carboxamide
CID 166187982
2-(3,5-dimethylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide
CID 17013983
N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]thiophene-2-carboxamide
CID 35342222

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(5-bromofuran-2-yl)-1,2-oxazol-5-yl]-2-thiophen-2-ylpropanamide?
The IUPAC name of (2R)-N-[3-(5-bromofuran-2-yl)-1,2-oxazol-5-yl]-2-thiophen-2-ylpropanamide (CID 97325087) is (2R)-N-[3-(5-bromofuran-2-yl)-1,2-oxazol-5-yl]-2-thiophen-2-ylpropanamide.
What is the SMILES notation for (2R)-N-[3-(5-bromofuran-2-yl)-1,2-oxazol-5-yl]-2-thiophen-2-ylpropanamide?
The canonical SMILES for (2R)-N-[3-(5-bromofuran-2-yl)-1,2-oxazol-5-yl]-2-thiophen-2-ylpropanamide is C[C@H](C(=O)Nc1cc(-c2ccc(Br)o2)no1)c1cccs1.
What is the InChIKey of (2R)-N-[3-(5-bromofuran-2-yl)-1,2-oxazol-5-yl]-2-thiophen-2-ylpropanamide?
The InChIKey is RSQIOKVBLRYVRL-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H11BrN2O3S/c1-8(11-3-2-6-21-11)14(18)16-13-7-9(17-20-13)10-4-5-12(15)19-10/h2-8H,1H3,(H,16,18)/t8-/m0/s1.
What are the key properties of (2R)-N-[3-(5-bromofuran-2-yl)-1,2-oxazol-5-yl]-2-thiophen-2-ylpropanamide?
(2R)-N-[3-(5-bromofuran-2-yl)-1,2-oxazol-5-yl]-2-thiophen-2-ylpropanamide has a molecular weight of 367.22 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(5-bromofuran-2-yl)-1,2-oxazol-5-yl]-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 97325087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).