N-[[2-(methoxymethyl)phenyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C20H23N3O3 — CID 78852990

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1cc(C(C)C)nc2onc(C)c12
InChIInChI=1S/C20H23N3O3/c1-12(2)17-9-16(18-13(3)23-26-20(18)22-17)19(24)21-10-14-7-5-6-8-15(14)11-25-4/h5-9,12H,10-11H2,1-4H3,(H,21,24)
InChIKeyZRDDLEMBFOCLGO-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.73
Rot. Bonds6

About N-[[2-(methoxymethyl)phenyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[[2-(methoxymethyl)phenyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78852990) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID78852990
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1cc(C(C)C)nc2onc(C)c12
InChIInChI=1S/C20H23N3O3/c1-12(2)17-9-16(18-13(3)23-26-20(18)22-17)19(24)21-10-14-7-5-6-8-15(14)11-25-4/h5-9,12H,10-11H2,1-4H3,(H,21,24)
InChIKeyZRDDLEMBFOCLGO-UHFFFAOYSA-N
XLogP3.73
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 32605719
3-methyl-6-propan-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831688
benzyl 2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetate
CID 78830434
N'-(2-hydroxybenzoyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 78831253
2-[2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]phenyl]acetic acid
CID 119353215
3-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86833408
N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112817342
3-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78853386
2-methyl-3-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-2-phenylpropanoic acid
CID 120701224
2-[3-[[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]phenoxy]acetic acid
CID 120527364
2-[[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527072
N-(2-amino-2-methylpropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119627163

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78852990) is N-[[2-(methoxymethyl)phenyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COCc1ccccc1CNC(=O)c1cc(C(C)C)nc2onc(C)c12.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZRDDLEMBFOCLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12(2)17-9-16(18-13(3)23-26-20(18)22-17)19(24)21-10-14-7-5-6-8-15(14)11-25-4/h5-9,12H,10-11H2,1-4H3,(H,21,24).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[[2-(methoxymethyl)phenyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78852990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).