5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]pyridin-2-amine

C15H12ClN3OS — CID 43301714

IUPAC5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCc2ncc(-c3ccc(Cl)cc3)o2)cn1
InChIInChI=1S/C15H12ClN3OS/c16-11-3-1-10(2-4-11)13-8-19-15(20-13)9-21-12-5-6-14(17)18-7-12/h1-8H,9H2,(H2,17,18)
InChIKeyMNLRPKPJIPXNBP-UHFFFAOYSA-N
MW317.80 g/mol
LogP4.26
Rot. Bonds4

About 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]pyridin-2-amine

5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]pyridin-2-amine (PubChem CID 43301714) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]pyridin-2-amine
PubChem CID43301714
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCc2ncc(-c3ccc(Cl)cc3)o2)cn1
InChIInChI=1S/C15H12ClN3OS/c16-11-3-1-10(2-4-11)13-8-19-15(20-13)9-21-12-5-6-14(17)18-7-12/h1-8H,9H2,(H2,17,18)
InChIKeyMNLRPKPJIPXNBP-UHFFFAOYSA-N
XLogP4.26
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]pyridin-2-amine?
The IUPAC name of 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]pyridin-2-amine (CID 43301714) is 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]pyridin-2-amine?
The canonical SMILES for 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]pyridin-2-amine is Nc1ccc(SCc2ncc(-c3ccc(Cl)cc3)o2)cn1.
What is the InChIKey of 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]pyridin-2-amine?
The InChIKey is MNLRPKPJIPXNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c16-11-3-1-10(2-4-11)13-8-19-15(20-13)9-21-12-5-6-14(17)18-7-12/h1-8H,9H2,(H2,17,18).
What are the key properties of 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]pyridin-2-amine?
5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]pyridin-2-amine has a molecular weight of 317.80 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 43301714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).