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

C18H19ClN6O2 — CID 135186880

IUPAC2-amino-N-[2-chloro-5-(1-piperidin-4-ylpyrazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2cc(-c3ccn(C4CCNCC4)n3)ccc2Cl)co1
InChIInChI=1S/C18H19ClN6O2/c19-13-2-1-11(9-15(13)22-17(26)16-10-27-18(20)23-16)14-5-8-25(24-14)12-3-6-21-7-4-12/h1-2,5,8-10,12,21H,3-4,6-7H2,(H2,20,23)(H,22,26)
InChIKeyUVWOZATYDVBOQS-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.95
Rot. Bonds4

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

2-amino-N-[2-chloro-5-(1-piperidin-4-ylpyrazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 135186880) has the molecular formula C18H19ClN6O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-5-(1-piperidin-4-ylpyrazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-chloro-5-(1-piperidin-4-ylpyrazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID135186880
Molecular FormulaC18H19ClN6O2
Molecular Weight386.84 g/mol
Exact Mass386.13
IUPAC Name2-amino-N-[2-chloro-5-(1-piperidin-4-ylpyrazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2cc(-c3ccn(C4CCNCC4)n3)ccc2Cl)co1
InChIInChI=1S/C18H19ClN6O2/c19-13-2-1-11(9-15(13)22-17(26)16-10-27-18(20)23-16)14-5-8-25(24-14)12-3-6-21-7-4-12/h1-2,5,8-10,12,21H,3-4,6-7H2,(H2,20,23)(H,22,26)
InChIKeyUVWOZATYDVBOQS-UHFFFAOYSA-N
XLogP2.95
TPSA111.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-5-(1-piperidin-4-ylpyrazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-amino-N-[2-chloro-5-(1-piperidin-4-ylpyrazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide (CID 135186880) is 2-amino-N-[2-chloro-5-(1-piperidin-4-ylpyrazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-chloro-5-(1-piperidin-4-ylpyrazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-chloro-5-(1-piperidin-4-ylpyrazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide is Nc1nc(C(=O)Nc2cc(-c3ccn(C4CCNCC4)n3)ccc2Cl)co1.
What is the InChIKey of 2-amino-N-[2-chloro-5-(1-piperidin-4-ylpyrazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is UVWOZATYDVBOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O2/c19-13-2-1-11(9-15(13)22-17(26)16-10-27-18(20)23-16)14-5-8-25(24-14)12-3-6-21-7-4-12/h1-2,5,8-10,12,21H,3-4,6-7H2,(H2,20,23)(H,22,26).
What are the key properties of 2-amino-N-[2-chloro-5-(1-piperidin-4-ylpyrazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide?
2-amino-N-[2-chloro-5-(1-piperidin-4-ylpyrazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-chloro-5-(1-piperidin-4-ylpyrazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 135186880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).