N-[(5-bromothiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline

C15H13BrN2O2S — CID 73352458

IUPACN-[(5-bromothiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline
SMILESCOc1cc(NCc2ccc(Br)s2)ccc1-c1cnco1
InChIInChI=1S/C15H13BrN2O2S/c1-19-13-6-10(18-7-11-3-5-15(16)21-11)2-4-12(13)14-8-17-9-20-14/h2-6,8-9,18H,7H2,1H3
InChIKeyUSKNJQIWEIRECN-UHFFFAOYSA-N
MW365.25 g/mol
LogP4.79
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline

N-[(5-bromothiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline (PubChem CID 73352458) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline
PubChem CID73352458
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline
SMILESCOc1cc(NCc2ccc(Br)s2)ccc1-c1cnco1
InChIInChI=1S/C15H13BrN2O2S/c1-19-13-6-10(18-7-11-3-5-15(16)21-11)2-4-12(13)14-8-17-9-20-14/h2-6,8-9,18H,7H2,1H3
InChIKeyUSKNJQIWEIRECN-UHFFFAOYSA-N
XLogP4.79
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-bromothiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline (CID 73352458) is N-[(5-bromothiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline is COc1cc(NCc2ccc(Br)s2)ccc1-c1cnco1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is USKNJQIWEIRECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c1-19-13-6-10(18-7-11-3-5-15(16)21-11)2-4-12(13)14-8-17-9-20-14/h2-6,8-9,18H,7H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline?
N-[(5-bromothiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 365.25 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 73352458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).