4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazine-1-carboxamide

C20H18ClN7O2 — CID 86268186

IUPAC4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(c2ncc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C20H18ClN7O2/c21-13-1-3-14(4-2-13)28-16-11-23-6-5-15(16)25-18(28)17-12-24-20(30-17)27-9-7-26(8-10-27)19(22)29/h1-6,11-12H,7-10H2,(H2,22,29)
InChIKeySAJUSHNLHMBFLN-UHFFFAOYSA-N
MW423.86 g/mol
LogP2.93
Rot. Bonds3

About 4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazine-1-carboxamide

4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazine-1-carboxamide (PubChem CID 86268186) has the molecular formula C20H18ClN7O2 and a molecular weight of 423.86 g/mol. Its IUPAC name is 4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazine-1-carboxamide
PubChem CID86268186
Molecular FormulaC20H18ClN7O2
Molecular Weight423.86 g/mol
Exact Mass423.12
IUPAC Name4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(c2ncc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C20H18ClN7O2/c21-13-1-3-14(4-2-13)28-16-11-23-6-5-15(16)25-18(28)17-12-24-20(30-17)27-9-7-26(8-10-27)19(22)29/h1-6,11-12H,7-10H2,(H2,22,29)
InChIKeySAJUSHNLHMBFLN-UHFFFAOYSA-N
XLogP2.93
TPSA106.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.86
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazine-1-carboxamide (CID 86268186) is 4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazine-1-carboxamide is NC(=O)N1CCN(c2ncc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)o2)CC1.
What is the InChIKey of 4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazine-1-carboxamide?
The InChIKey is SAJUSHNLHMBFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN7O2/c21-13-1-3-14(4-2-13)28-16-11-23-6-5-15(16)25-18(28)17-12-24-20(30-17)27-9-7-26(8-10-27)19(22)29/h1-6,11-12H,7-10H2,(H2,22,29).
What are the key properties of 4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazine-1-carboxamide?
4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazine-1-carboxamide has a molecular weight of 423.86 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 86268186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).