2-amino-N-[2-chloro-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide

C21H23ClN6O2 — CID 135186877

IUPAC2-amino-N-[2-chloro-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCN1CCN(Cc2ccc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)cn2)CC1
InChIInChI=1S/C21H23ClN6O2/c1-27-6-8-28(9-7-27)12-16-4-2-15(11-24-16)14-3-5-17(22)18(10-14)25-20(29)19-13-30-21(23)26-19/h2-5,10-11,13H,6-9,12H2,1H3,(H2,23,26)(H,25,29)
InChIKeyIGKYLXMOHOMVRS-UHFFFAOYSA-N
MW426.91 g/mol
LogP2.97
Rot. Bonds5

About 2-amino-N-[2-chloro-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide

2-amino-N-[2-chloro-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 135186877) has the molecular formula C21H23ClN6O2 and a molecular weight of 426.91 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-chloro-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
PubChem CID135186877
Molecular FormulaC21H23ClN6O2
Molecular Weight426.91 g/mol
Exact Mass426.16
IUPAC Name2-amino-N-[2-chloro-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCN1CCN(Cc2ccc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)cn2)CC1
InChIInChI=1S/C21H23ClN6O2/c1-27-6-8-28(9-7-27)12-16-4-2-15(11-24-16)14-3-5-17(22)18(10-14)25-20(29)19-13-30-21(23)26-19/h2-5,10-11,13H,6-9,12H2,1H3,(H2,23,26)(H,25,29)
InChIKeyIGKYLXMOHOMVRS-UHFFFAOYSA-N
XLogP2.97
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-[2-chloro-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-oxazole-4-carboxamide
CID 118204305
2-amino-N-[2-chloro-5-(3-cyano-1-piperidin-4-ylpyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 135186859
2-amino-N-[2-chloro-5-[1-[3-(cyclopropylamino)propyl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186861
2-amino-N-[2-chloro-5-[6-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186862
2-amino-N-[2-chloro-5-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186864
2-amino-N-[2-chloro-5-[2-[3-(dimethylamino)propoxy]-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186867
2-amino-N-[2-chloro-5-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186868
2-amino-N-[2-chloro-5-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186874
2-amino-N-[5-[6-[[(4-aminocyclohexyl)amino]methyl]-3-pyridinyl]-2-chlorophenyl]-1,3-oxazole-4-carboxamide
CID 135186875
2-amino-N-[2-chloro-5-[1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186876
2-amino-N-[2-chloro-5-(1-piperidin-4-ylpyrazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 135186880
2-amino-N-[2-chloro-5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186881

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-amino-N-[2-chloro-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide (CID 135186877) is 2-amino-N-[2-chloro-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-chloro-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-chloro-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide is CN1CCN(Cc2ccc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)cn2)CC1.
What is the InChIKey of 2-amino-N-[2-chloro-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is IGKYLXMOHOMVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O2/c1-27-6-8-28(9-7-27)12-16-4-2-15(11-24-16)14-3-5-17(22)18(10-14)25-20(29)19-13-30-21(23)26-19/h2-5,10-11,13H,6-9,12H2,1H3,(H2,23,26)(H,25,29).
What are the key properties of 2-amino-N-[2-chloro-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide?
2-amino-N-[2-chloro-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 426.91 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-chloro-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 135186877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).