3-(5-bromothiophen-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide

C14H15BrN2O3S — CID 95063975

IUPAC3-(5-bromothiophen-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(Br)s2)c1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C14H15BrN2O3S/c1-8-12(14(18)16-7-9-3-2-6-19-9)13(17-20-8)10-4-5-11(15)21-10/h4-5,9H,2-3,6-7H2,1H3,(H,16,18)/t9-/m0/s1
InChIKeyJLDPRHBMSKLTDM-VIFPVBQESA-N
MW371.26 g/mol
LogP3.38
Rot. Bonds4

About 3-(5-bromothiophen-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide

3-(5-bromothiophen-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 95063975) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID95063975
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name3-(5-bromothiophen-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(Br)s2)c1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C14H15BrN2O3S/c1-8-12(14(18)16-7-9-3-2-6-19-9)13(17-20-8)10-4-5-11(15)21-10/h4-5,9H,2-3,6-7H2,1H3,(H,16,18)/t9-/m0/s1
InChIKeyJLDPRHBMSKLTDM-VIFPVBQESA-N
XLogP3.38
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-bromothiophen-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,6-dichlorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 1070167
3-(furan-2-yl)-5-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 110682397
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038
N-(2-bromophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 53052712
(E)-3-(5-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 51148126
5-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 1093775
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide
CID 110647654
N-(cyclobutylmethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 33383648
4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 25402358
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 20947371

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(5-bromothiophen-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide (CID 95063975) is 3-(5-bromothiophen-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccc(Br)s2)c1C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is JLDPRHBMSKLTDM-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-8-12(14(18)16-7-9-3-2-6-19-9)13(17-20-8)10-4-5-11(15)21-10/h4-5,9H,2-3,6-7H2,1H3,(H,16,18)/t9-/m0/s1.
What are the key properties of 3-(5-bromothiophen-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide?
3-(5-bromothiophen-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 371.26 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 95063975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).