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

C16H19N5O3 — CID 72925748

IUPACN,3,6-trimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2noc(C(C)C)n2)c2c(C)noc2n1
InChIInChI=1S/C16H19N5O3/c1-8(2)14-18-12(20-23-14)7-21(5)16(22)11-6-9(3)17-15-13(11)10(4)19-24-15/h6,8H,7H2,1-5H3
InChIKeyZZSZQRFKMAPBGK-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.62
Rot. Bonds4

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

N,3,6-trimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 72925748) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N,3,6-trimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,3,6-trimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID72925748
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN,3,6-trimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2noc(C(C)C)n2)c2c(C)noc2n1
InChIInChI=1S/C16H19N5O3/c1-8(2)14-18-12(20-23-14)7-21(5)16(22)11-6-9(3)17-15-13(11)10(4)19-24-15/h6,8H,7H2,1-5H3
InChIKeyZZSZQRFKMAPBGK-UHFFFAOYSA-N
XLogP2.62
TPSA98.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,3,6-trimethyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18162206
N-[(2-ethylpyrazol-3-yl)methyl]-N,3,6-trimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821702
N,3,6-trimethyl-N-(thiophen-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18163513
2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid
CID 62627993
2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]acetic acid
CID 61022500
4-[methyl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119347045
N-[(3-chlorophenyl)methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831602
N,2,8-trimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]quinoline-4-carboxamide
CID 46982276
2-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 70770992
N,3-dimethyl-N-[(4-methylquinazolin-2-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51133374
N,3-dimethyl-6-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 75406936
N-[(2R)-1-hydroxybutan-2-yl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 103919940

Frequently Asked Questions

What is the IUPAC name of N,3,6-trimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N,3,6-trimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 72925748) is N,3,6-trimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N,3,6-trimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N,3,6-trimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N(C)Cc2noc(C(C)C)n2)c2c(C)noc2n1.
What is the InChIKey of N,3,6-trimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZZSZQRFKMAPBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-8(2)14-18-12(20-23-14)7-21(5)16(22)11-6-9(3)17-15-13(11)10(4)19-24-15/h6,8H,7H2,1-5H3.
What are the key properties of N,3,6-trimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N,3,6-trimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,6-trimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 72925748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).