N-(3,4-dihydro-2H-chromen-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C18H17N3O3 — CID 18142811

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCOc3ccccc32)c2c(C)noc2n1
InChIInChI=1S/C18H17N3O3/c1-10-9-13(16-11(2)21-24-18(16)19-10)17(22)20-14-7-8-23-15-6-4-3-5-12(14)15/h3-6,9,14H,7-8H2,1-2H3,(H,20,22)
InChIKeyFIUXCZPREJOWQV-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.09
Rot. Bonds2

About N-(3,4-dihydro-2H-chromen-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(3,4-dihydro-2H-chromen-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 18142811) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID18142811
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCOc3ccccc32)c2c(C)noc2n1
InChIInChI=1S/C18H17N3O3/c1-10-9-13(16-11(2)21-24-18(16)19-10)17(22)20-14-7-8-23-15-6-4-3-5-12(14)15/h3-6,9,14H,7-8H2,1-2H3,(H,20,22)
InChIKeyFIUXCZPREJOWQV-UHFFFAOYSA-N
XLogP3.09
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dihydro-2H-chromen-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16623060
3,6-dimethyl-N-[(1R,2R)-2-phenylcyclobutyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 97218365
3,6-dimethyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119388173
3,6-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 90489328
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94526998
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-sulfanylbenzamide
CID 107028267
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
N-(3,4-dihydro-2H-chromen-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 51083914
3-(3,4-dihydro-2H-chromen-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 51083560
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
3-methyl-N-(oxan-4-yl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71939341

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 18142811) is N-(3,4-dihydro-2H-chromen-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NC2CCOc3ccccc32)c2c(C)noc2n1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FIUXCZPREJOWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-10-9-13(16-11(2)21-24-18(16)19-10)17(22)20-14-7-8-23-15-6-4-3-5-12(14)15/h3-6,9,14H,7-8H2,1-2H3,(H,20,22).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(3,4-dihydro-2H-chromen-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 18142811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).