(2R)-2-[(2-methoxy-3-pyridinyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C15H20N4O3 — CID 35623653

IUPAC(2R)-2-[(2-methoxy-3-pyridinyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@@H](NCc1cccnc1OC)C(=O)Nc1cc(C)on1
InChIInChI=1S/C15H20N4O3/c1-4-12(14(20)18-13-8-10(2)22-19-13)17-9-11-6-5-7-16-15(11)21-3/h5-8,12,17H,4,9H2,1-3H3,(H,18,19,20)/t12-/m1/s1
InChIKeyYFOHMFLGSDMZPB-GFCCVEGCSA-N
MW304.35 g/mol
LogP1.89
Rot. Bonds7

About (2R)-2-[(2-methoxy-3-pyridinyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

(2R)-2-[(2-methoxy-3-pyridinyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 35623653) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2R)-2-[(2-methoxy-3-pyridinyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-[(2-methoxy-3-pyridinyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID35623653
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(2R)-2-[(2-methoxy-3-pyridinyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@@H](NCc1cccnc1OC)C(=O)Nc1cc(C)on1
InChIInChI=1S/C15H20N4O3/c1-4-12(14(20)18-13-8-10(2)22-19-13)17-9-11-6-5-7-16-15(11)21-3/h5-8,12,17H,4,9H2,1-3H3,(H,18,19,20)/t12-/m1/s1
InChIKeyYFOHMFLGSDMZPB-GFCCVEGCSA-N
XLogP1.89
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylmethylamino)butanamide
CID 35789320
(2R)-2-[(4-acetamidophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 32510370
2-(2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17499493
N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylamino]butanamide
CID 167906524
(2R)-2-(2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 30237362
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
CID 41013621
(2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 35787670
(2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 25355318
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42515365
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 93316993
(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 79024953
N-[4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide
CID 47018451

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methoxy-3-pyridinyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of (2R)-2-[(2-methoxy-3-pyridinyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 35623653) is (2R)-2-[(2-methoxy-3-pyridinyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for (2R)-2-[(2-methoxy-3-pyridinyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for (2R)-2-[(2-methoxy-3-pyridinyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CC[C@@H](NCc1cccnc1OC)C(=O)Nc1cc(C)on1.
What is the InChIKey of (2R)-2-[(2-methoxy-3-pyridinyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is YFOHMFLGSDMZPB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-4-12(14(20)18-13-8-10(2)22-19-13)17-9-11-6-5-7-16-15(11)21-3/h5-8,12,17H,4,9H2,1-3H3,(H,18,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-[(2-methoxy-3-pyridinyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
(2R)-2-[(2-methoxy-3-pyridinyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 304.35 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methoxy-3-pyridinyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 35623653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).