N-(4-chlorophenyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine

C19H20ClN5O — CID 53311404

IUPACN-(4-chlorophenyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine
SMILESCN1CCN(c2ncc(-c3cccc(Nc4ccc(Cl)cc4)n3)o2)CC1
InChIInChI=1S/C19H20ClN5O/c1-24-9-11-25(12-10-24)19-21-13-17(26-19)16-3-2-4-18(23-16)22-15-7-5-14(20)6-8-15/h2-8,13H,9-12H2,1H3,(H,22,23)
InChIKeyBPKIVNTXIHKVAH-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.89
Rot. Bonds4

About N-(4-chlorophenyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine

N-(4-chlorophenyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine (PubChem CID 53311404) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine
PubChem CID53311404
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC NameN-(4-chlorophenyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine
SMILESCN1CCN(c2ncc(-c3cccc(Nc4ccc(Cl)cc4)n3)o2)CC1
InChIInChI=1S/C19H20ClN5O/c1-24-9-11-25(12-10-24)19-21-13-17(26-19)16-3-2-4-18(23-16)22-15-7-5-14(20)6-8-15/h2-8,13H,9-12H2,1H3,(H,22,23)
InChIKeyBPKIVNTXIHKVAH-UHFFFAOYSA-N
XLogP3.89
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine (CID 53311404) is N-(4-chlorophenyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine is CN1CCN(c2ncc(-c3cccc(Nc4ccc(Cl)cc4)n3)o2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine?
The InChIKey is BPKIVNTXIHKVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-24-9-11-25(12-10-24)19-21-13-17(26-19)16-3-2-4-18(23-16)22-15-7-5-14(20)6-8-15/h2-8,13H,9-12H2,1H3,(H,22,23).
What are the key properties of N-(4-chlorophenyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine?
N-(4-chlorophenyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine has a molecular weight of 369.86 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 53311404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).