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

C20H22N4O4 — CID 78886813

IUPACN-(4-acetamido-3-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C(C)C)nc3onc(C)c23)ccc1NC(C)=O
InChIInChI=1S/C20H22N4O4/c1-10(2)16-9-14(18-11(3)24-28-20(18)23-16)19(26)22-13-6-7-15(21-12(4)25)17(8-13)27-5/h6-10H,1-5H3,(H,21,25)(H,22,26)
InChIKeyITRSLQDFXRQKFU-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.87
Rot. Bonds5

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

N-(4-acetamido-3-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78886813) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(4-acetamido-3-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID78886813
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-(4-acetamido-3-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C(C)C)nc3onc(C)c23)ccc1NC(C)=O
InChIInChI=1S/C20H22N4O4/c1-10(2)16-9-14(18-11(3)24-28-20(18)23-16)19(26)22-13-6-7-15(21-12(4)25)17(8-13)27-5/h6-10H,1-5H3,(H,21,25)(H,22,26)
InChIKeyITRSLQDFXRQKFU-UHFFFAOYSA-N
XLogP3.87
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112808169
3-methyl-6-propan-2-yl-N-(4-propan-2-yloxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78882543
N-(5-chloro-2-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45495715
3-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830266
3-methyl-N-[4-(methylcarbamoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78840051
N-(3-acetylphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45491955
3-methyl-N-(4-methylsulfanylphenyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830370
N-(2-amino-5-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119420959
N-(1H-indol-6-yl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45493215
3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78849286
N-(3-benzamidophenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78891603
3-methyl-6-propan-2-yl-N-(2-propan-2-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78835772

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-acetamido-3-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78886813) is N-(4-acetamido-3-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-acetamido-3-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-acetamido-3-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1cc(NC(=O)c2cc(C(C)C)nc3onc(C)c23)ccc1NC(C)=O.
What is the InChIKey of N-(4-acetamido-3-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ITRSLQDFXRQKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-10(2)16-9-14(18-11(3)24-28-20(18)23-16)19(26)22-13-6-7-15(21-12(4)25)17(8-13)27-5/h6-10H,1-5H3,(H,21,25)(H,22,26).
What are the key properties of N-(4-acetamido-3-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(4-acetamido-3-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78886813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).