N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C18H13ClN4O2 — CID 167826549

IUPACN-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESO=C(NCc1cc(-c2ccc(Cl)cc2)on1)c1cncc2[nH]ccc12
InChIInChI=1S/C18H13ClN4O2/c19-12-3-1-11(2-4-12)17-7-13(23-25-17)8-22-18(24)15-9-20-10-16-14(15)5-6-21-16/h1-7,9-10,21H,8H2,(H,22,24)
InChIKeyZJKNHDGROBDFTH-UHFFFAOYSA-N
MW352.78 g/mol
LogP3.80
Rot. Bonds4

About N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 167826549) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID167826549
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC NameN-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESO=C(NCc1cc(-c2ccc(Cl)cc2)on1)c1cncc2[nH]ccc12
InChIInChI=1S/C18H13ClN4O2/c19-12-3-1-11(2-4-12)17-7-13(23-25-17)8-22-18(24)15-9-20-10-16-14(15)5-6-21-16/h1-7,9-10,21H,8H2,(H,22,24)
InChIKeyZJKNHDGROBDFTH-UHFFFAOYSA-N
XLogP3.80
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-2-pyridinyl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 167813654
2-(4-chlorophenyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16866804
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2,3-dimethoxybenzamide
CID 16866739
4-bromo-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866753
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide
CID 16866727
N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 167939618
4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866496
4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866729
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide
CID 16866743
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-nitrobenzamide
CID 16866764
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide
CID 16866881
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
CID 16866721

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 167826549) is N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is O=C(NCc1cc(-c2ccc(Cl)cc2)on1)c1cncc2[nH]ccc12.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is ZJKNHDGROBDFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c19-12-3-1-11(2-4-12)17-7-13(23-25-17)8-22-18(24)15-9-20-10-16-14(15)5-6-21-16/h1-7,9-10,21H,8H2,(H,22,24).
What are the key properties of N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 352.78 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 167826549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).