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

C16H15ClN2OS — CID 43704811

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline
SMILESCc1nc(-c2ccc(NC(C)c3ccc(Cl)s3)cc2)co1
InChIInChI=1S/C16H15ClN2OS/c1-10(15-7-8-16(17)21-15)18-13-5-3-12(4-6-13)14-9-20-11(2)19-14/h3-10,18H,1-2H3
InChIKeyCIWKXLHRKFXEJV-UHFFFAOYSA-N
MW318.83 g/mol
LogP5.54
Rot. Bonds4

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

N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline (PubChem CID 43704811) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline
PubChem CID43704811
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline
SMILESCc1nc(-c2ccc(NC(C)c3ccc(Cl)s3)cc2)co1
InChIInChI=1S/C16H15ClN2OS/c1-10(15-7-8-16(17)21-15)18-13-5-3-12(4-6-13)14-9-20-11(2)19-14/h3-10,18H,1-2H3
InChIKeyCIWKXLHRKFXEJV-UHFFFAOYSA-N
XLogP5.54
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.83
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-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

Related Compounds

4-(2-methyl-1,3-oxazol-4-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43704849
4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917439
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-ylaniline
CID 43381993
N-[(5-chlorothiophen-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 43704692
4-(2-methyl-1,3-oxazol-4-yl)-N-(1-pyridin-4-ylethyl)aniline
CID 43704850
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline
CID 60927533
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline
CID 43733318
4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazole
CID 82125946
N-(dicyclopropylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 43704863
4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43097732
N-(5-methylheptan-3-yl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 43704826
5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468979

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline (CID 43704811) is N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline is Cc1nc(-c2ccc(NC(C)c3ccc(Cl)s3)cc2)co1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The InChIKey is CIWKXLHRKFXEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c1-10(15-7-8-16(17)21-15)18-13-5-3-12(4-6-13)14-9-20-11(2)19-14/h3-10,18H,1-2H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline?
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline has a molecular weight of 318.83 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline is sourced from PubChem (CID 43704811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).