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

C20H23ClN6O3 — CID 135186881

IUPAC2-amino-N-[2-chloro-5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2cc(-c3cnn(C4CCN(CCO)CC4)c3)ccc2Cl)co1
InChIInChI=1S/C20H23ClN6O3/c21-16-2-1-13(9-17(16)24-19(29)18-12-30-20(22)25-18)14-10-23-27(11-14)15-3-5-26(6-4-15)7-8-28/h1-2,9-12,15,28H,3-8H2,(H2,22,25)(H,24,29)
InChIKeyKSLAOFXDROLDFV-UHFFFAOYSA-N
MW430.90 g/mol
LogP2.66
Rot. Bonds6

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

2-amino-N-[2-chloro-5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 135186881) has the molecular formula C20H23ClN6O3 and a molecular weight of 430.90 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-chloro-5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
PubChem CID135186881
Molecular FormulaC20H23ClN6O3
Molecular Weight430.90 g/mol
Exact Mass430.15
IUPAC Name2-amino-N-[2-chloro-5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2cc(-c3cnn(C4CCN(CCO)CC4)c3)ccc2Cl)co1
InChIInChI=1S/C20H23ClN6O3/c21-16-2-1-13(9-17(16)24-19(29)18-12-30-20(22)25-18)14-10-23-27(11-14)15-3-5-26(6-4-15)7-8-28/h1-2,9-12,15,28H,3-8H2,(H2,22,25)(H,24,29)
InChIKeyKSLAOFXDROLDFV-UHFFFAOYSA-N
XLogP2.66
TPSA122.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-amino-N-[2-chloro-5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide (CID 135186881) is 2-amino-N-[2-chloro-5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-chloro-5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-chloro-5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide is Nc1nc(C(=O)Nc2cc(-c3cnn(C4CCN(CCO)CC4)c3)ccc2Cl)co1.
What is the InChIKey of 2-amino-N-[2-chloro-5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is KSLAOFXDROLDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O3/c21-16-2-1-13(9-17(16)24-19(29)18-12-30-20(22)25-18)14-10-23-27(11-14)15-3-5-26(6-4-15)7-8-28/h1-2,9-12,15,28H,3-8H2,(H2,22,25)(H,24,29).
What are the key properties of 2-amino-N-[2-chloro-5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide?
2-amino-N-[2-chloro-5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 430.90 g/mol, XLogP of 2.66, 6 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-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 135186881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).