N-[1-(3-methylphenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C19H21N3O2 — CID 166337233

IUPACN-[1-(3-methylphenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1cccc(C(C)NC(=O)c2cnc3onc(C(C)C)c3c2)c1
InChIInChI=1S/C19H21N3O2/c1-11(2)17-16-9-15(10-20-19(16)24-22-17)18(23)21-13(4)14-7-5-6-12(3)8-14/h5-11,13H,1-4H3,(H,21,23)
InChIKeyBUMCPLGNCFUBTP-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.15
Rot. Bonds4

About N-[1-(3-methylphenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

N-[1-(3-methylphenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 166337233) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[1-(3-methylphenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methylphenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID166337233
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[1-(3-methylphenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1cccc(C(C)NC(=O)c2cnc3onc(C(C)C)c3c2)c1
InChIInChI=1S/C19H21N3O2/c1-11(2)17-16-9-15(10-20-19(16)24-22-17)18(23)21-13(4)14-7-5-6-12(3)8-14/h5-11,13H,1-4H3,(H,21,23)
InChIKeyBUMCPLGNCFUBTP-UHFFFAOYSA-N
XLogP4.15
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 166191150
N-(3-methylbutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 42931383
N-[(2R)-3-methylbutan-2-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 30137551
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 166192108
N-(1-methoxypropan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 24639517
N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 25497251
3-propan-2-yl-N-pyridazin-3-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 166210280
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 24646524
2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326876
4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide
CID 81361437
3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 86965039
tert-butyl 6-[(4-fluorophenyl)-[4-[(1R)-1-[(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]ethyl]phenyl]methylidene]-2-azaspiro[3.3]heptane-2-carboxylate
CID 177196965

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[1-(3-methylphenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 166337233) is N-[1-(3-methylphenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[1-(3-methylphenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[1-(3-methylphenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is Cc1cccc(C(C)NC(=O)c2cnc3onc(C(C)C)c3c2)c1.
What is the InChIKey of N-[1-(3-methylphenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is BUMCPLGNCFUBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-11(2)17-16-9-15(10-20-19(16)24-22-17)18(23)21-13(4)14-7-5-6-12(3)8-14/h5-11,13H,1-4H3,(H,21,23).
What are the key properties of N-[1-(3-methylphenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N-[1-(3-methylphenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylphenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 166337233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).