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

C17H18N2O2S — CID 73355472

IUPACN-[(5-ethylthiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline
SMILESCCc1ccc(CNc2ccc(-c3cnco3)c(OC)c2)s1
InChIInChI=1S/C17H18N2O2S/c1-3-13-5-6-14(22-13)9-19-12-4-7-15(16(8-12)20-2)17-10-18-11-21-17/h4-8,10-11,19H,3,9H2,1-2H3
InChIKeyNEVOPFDGQRXEJN-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.59
Rot. Bonds6

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

N-[(5-ethylthiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline (PubChem CID 73355472) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline
PubChem CID73355472
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline
SMILESCCc1ccc(CNc2ccc(-c3cnco3)c(OC)c2)s1
InChIInChI=1S/C17H18N2O2S/c1-3-13-5-6-14(22-13)9-19-12-4-7-15(16(8-12)20-2)17-10-18-11-21-17/h4-8,10-11,19H,3,9H2,1-2H3
InChIKeyNEVOPFDGQRXEJN-UHFFFAOYSA-N
XLogP4.59
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-ethylthiophen-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-ethylthiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline (CID 73355472) is N-[(5-ethylthiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline is CCc1ccc(CNc2ccc(-c3cnco3)c(OC)c2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is NEVOPFDGQRXEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-3-13-5-6-14(22-13)9-19-12-4-7-15(16(8-12)20-2)17-10-18-11-21-17/h4-8,10-11,19H,3,9H2,1-2H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline?
N-[(5-ethylthiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 314.41 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-3-methoxy-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 73355472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).