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

C15H13ClN2OS — CID 43704692

IUPACN-[(5-chlorothiophen-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline
SMILESCc1nc(-c2ccc(NCc3ccc(Cl)s3)cc2)co1
InChIInChI=1S/C15H13ClN2OS/c1-10-18-14(9-19-10)11-2-4-12(5-3-11)17-8-13-6-7-15(16)20-13/h2-7,9,17H,8H2,1H3
InChIKeyPRUADEILCSXGRP-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.98
Rot. Bonds4

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

N-[(5-chlorothiophen-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline (PubChem CID 43704692) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline
PubChem CID43704692
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline
SMILESCc1nc(-c2ccc(NCc3ccc(Cl)s3)cc2)co1
InChIInChI=1S/C15H13ClN2OS/c1-10-18-14(9-19-10)11-2-4-12(5-3-11)17-8-13-6-7-15(16)20-13/h2-7,9,17H,8H2,1H3
InChIKeyPRUADEILCSXGRP-UHFFFAOYSA-N
XLogP4.98
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline (CID 43704692) is N-[(5-chlorothiophen-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline is Cc1nc(-c2ccc(NCc3ccc(Cl)s3)cc2)co1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The InChIKey is PRUADEILCSXGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-10-18-14(9-19-10)11-2-4-12(5-3-11)17-8-13-6-7-15(16)20-13/h2-7,9,17H,8H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline?
N-[(5-chlorothiophen-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline has a molecular weight of 304.80 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline is sourced from PubChem (CID 43704692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).