N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C19H16ClN5O2 — CID 90403536

IUPACN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1cnc2nc(-c3cc(NC(=O)c4oc(C)nc4C)ccc3Cl)[nH]c2c1
InChIInChI=1S/C19H16ClN5O2/c1-9-6-15-18(21-8-9)25-17(24-15)13-7-12(4-5-14(13)20)23-19(26)16-10(2)22-11(3)27-16/h4-8H,1-3H3,(H,23,26)(H,21,24,25)
InChIKeyWBMFJTOESFOION-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.44
Rot. Bonds3

About N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 90403536) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID90403536
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC NameN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1cnc2nc(-c3cc(NC(=O)c4oc(C)nc4C)ccc3Cl)[nH]c2c1
InChIInChI=1S/C19H16ClN5O2/c1-9-6-15-18(21-8-9)25-17(24-15)13-7-12(4-5-14(13)20)23-19(26)16-10(2)22-11(3)27-16/h4-8H,1-3H3,(H,23,26)(H,21,24,25)
InChIKeyWBMFJTOESFOION-UHFFFAOYSA-N
XLogP4.44
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 90403536) is N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1cnc2nc(-c3cc(NC(=O)c4oc(C)nc4C)ccc3Cl)[nH]c2c1.
What is the InChIKey of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is WBMFJTOESFOION-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c1-9-6-15-18(21-8-9)25-17(24-15)13-7-12(4-5-14(13)20)23-19(26)16-10(2)22-11(3)27-16/h4-8H,1-3H3,(H,23,26)(H,21,24,25).
What are the key properties of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 381.82 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 90403536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).