N-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H22N4O2 — CID 97185405

IUPACN-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)NC[C@H](C)N(C)C)c12
InChIInChI=1S/C19H22N4O2/c1-12(23(3)4)11-20-18(24)15-10-16(14-8-6-5-7-9-14)21-19-17(15)13(2)22-25-19/h5-10,12H,11H2,1-4H3,(H,20,24)/t12-/m0/s1
InChIKeyDEYVSDXBEZDEOO-LBPRGKRZSA-N
MW338.41 g/mol
LogP2.88
Rot. Bonds5

About N-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 97185405) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID97185405
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)NC[C@H](C)N(C)C)c12
InChIInChI=1S/C19H22N4O2/c1-12(23(3)4)11-20-18(24)15-10-16(14-8-6-5-7-9-14)21-19-17(15)13(2)22-25-19/h5-10,12H,11H2,1-4H3,(H,20,24)/t12-/m0/s1
InChIKeyDEYVSDXBEZDEOO-LBPRGKRZSA-N
XLogP2.88
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55522795
N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 39985346
3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47064573
N-(2-hydroxyethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 110883739
propyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46542963
N-cyclopentyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30698272
N-cyclopentyl-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134061039
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 39976233
N,3-dimethyl-N-[(4-methylquinazolin-2-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51133374
methyl 2-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
CID 60621435
methyl 3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate
CID 55818810
[2-(diethylamino)-2-oxoethyl] 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681591

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 97185405) is N-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccccc3)cc(C(=O)NC[C@H](C)N(C)C)c12.
What is the InChIKey of N-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DEYVSDXBEZDEOO-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12(23(3)4)11-20-18(24)15-10-16(14-8-6-5-7-9-14)21-19-17(15)13(2)22-25-19/h5-10,12H,11H2,1-4H3,(H,20,24)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 97185405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).