2-amino-N-[2-chloro-5-(3-cyano-1-piperidin-4-ylpyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide

C19H18ClN7O2 — CID 135186859

IUPAC2-amino-N-[2-chloro-5-(3-cyano-1-piperidin-4-ylpyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide
SMILESN#Cc1nn(C2CCNCC2)cc1-c1ccc(Cl)c(NC(=O)c2coc(N)n2)c1
InChIInChI=1S/C19H18ClN7O2/c20-14-2-1-11(7-15(14)24-18(28)17-10-29-19(22)25-17)13-9-27(26-16(13)8-21)12-3-5-23-6-4-12/h1-2,7,9-10,12,23H,3-6H2,(H2,22,25)(H,24,28)
InChIKeyJUNVCEXHDXIKPY-UHFFFAOYSA-N
MW411.85 g/mol
LogP2.82
Rot. Bonds4

About 2-amino-N-[2-chloro-5-(3-cyano-1-piperidin-4-ylpyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide

2-amino-N-[2-chloro-5-(3-cyano-1-piperidin-4-ylpyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 135186859) has the molecular formula C19H18ClN7O2 and a molecular weight of 411.85 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-5-(3-cyano-1-piperidin-4-ylpyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-chloro-5-(3-cyano-1-piperidin-4-ylpyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID135186859
Molecular FormulaC19H18ClN7O2
Molecular Weight411.85 g/mol
Exact Mass411.12
IUPAC Name2-amino-N-[2-chloro-5-(3-cyano-1-piperidin-4-ylpyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide
SMILESN#Cc1nn(C2CCNCC2)cc1-c1ccc(Cl)c(NC(=O)c2coc(N)n2)c1
InChIInChI=1S/C19H18ClN7O2/c20-14-2-1-11(7-15(14)24-18(28)17-10-29-19(22)25-17)13-9-27(26-16(13)8-21)12-3-5-23-6-4-12/h1-2,7,9-10,12,23H,3-6H2,(H2,22,25)(H,24,28)
InChIKeyJUNVCEXHDXIKPY-UHFFFAOYSA-N
XLogP2.82
TPSA134.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.85
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186868
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-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186877
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
2-amino-N-[2-chloro-5-(2-piperidin-4-yloxypyrimidin-5-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 135186883
N-[5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-3-pyridinyl]-2-chlorophenyl]-2-amino-1,3-oxazole-4-carboxamide
CID 135186912
2-amino-N-[2-chloro-5-[1-[3-(methylamino)propyl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186921

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-5-(3-cyano-1-piperidin-4-ylpyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-amino-N-[2-chloro-5-(3-cyano-1-piperidin-4-ylpyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide (CID 135186859) is 2-amino-N-[2-chloro-5-(3-cyano-1-piperidin-4-ylpyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-chloro-5-(3-cyano-1-piperidin-4-ylpyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-chloro-5-(3-cyano-1-piperidin-4-ylpyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide is N#Cc1nn(C2CCNCC2)cc1-c1ccc(Cl)c(NC(=O)c2coc(N)n2)c1.
What is the InChIKey of 2-amino-N-[2-chloro-5-(3-cyano-1-piperidin-4-ylpyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is JUNVCEXHDXIKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN7O2/c20-14-2-1-11(7-15(14)24-18(28)17-10-29-19(22)25-17)13-9-27(26-16(13)8-21)12-3-5-23-6-4-12/h1-2,7,9-10,12,23H,3-6H2,(H2,22,25)(H,24,28).
What are the key properties of 2-amino-N-[2-chloro-5-(3-cyano-1-piperidin-4-ylpyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide?
2-amino-N-[2-chloro-5-(3-cyano-1-piperidin-4-ylpyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 411.85 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-chloro-5-(3-cyano-1-piperidin-4-ylpyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 135186859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).