(2S)-2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C17H23N3O3 — CID 94180754

IUPAC(2S)-2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCOc1ccc(C)cc1[C@H](C)N[C@@H](C)C(=O)Nc1cc(C)no1
InChIInChI=1S/C17H23N3O3/c1-10-6-7-15(22-5)14(8-10)12(3)18-13(4)17(21)19-16-9-11(2)20-23-16/h6-9,12-13,18H,1-5H3,(H,19,21)/t12-,13-/m0/s1
InChIKeyYAMCYPXJCUUIKI-STQMWFEESA-N
MW317.39 g/mol
LogP2.98
Rot. Bonds6

About (2S)-2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

(2S)-2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 94180754) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2S)-2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID94180754
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(2S)-2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCOc1ccc(C)cc1[C@H](C)N[C@@H](C)C(=O)Nc1cc(C)no1
InChIInChI=1S/C17H23N3O3/c1-10-6-7-15(22-5)14(8-10)12(3)18-13(4)17(21)19-16-9-11(2)20-23-16/h6-9,12-13,18H,1-5H3,(H,19,21)/t12-,13-/m0/s1
InChIKeyYAMCYPXJCUUIKI-STQMWFEESA-N
XLogP2.98
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]propanamide
CID 51244084
2-[1-(2-fluorophenyl)ethylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 42896225
(2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720215
N-(2,4-difluorophenyl)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]propanamide
CID 51244088
(2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 35787670
(2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 124614367
(2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720301
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 51264449
2,5-dimethoxy-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 45284631
2-(2-methoxyphenyl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 60593777
methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate
CID 43732405
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of (2S)-2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 94180754) is (2S)-2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is COc1ccc(C)cc1[C@H](C)N[C@@H](C)C(=O)Nc1cc(C)no1.
What is the InChIKey of (2S)-2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is YAMCYPXJCUUIKI-STQMWFEESA-N. The full InChI is InChI=1S/C17H23N3O3/c1-10-6-7-15(22-5)14(8-10)12(3)18-13(4)17(21)19-16-9-11(2)20-23-16/h6-9,12-13,18H,1-5H3,(H,19,21)/t12-,13-/m0/s1.
What are the key properties of (2S)-2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
(2S)-2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 94180754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).