(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide

C16H19N3O4 — CID 112507061

IUPAC(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide
SMILESCc1cc(NC(=O)[C@H](C)NC(=O)CCOc2ccccc2)no1
InChIInChI=1S/C16H19N3O4/c1-11-10-14(19-23-11)18-16(21)12(2)17-15(20)8-9-22-13-6-4-3-5-7-13/h3-7,10,12H,8-9H2,1-2H3,(H,17,20)(H,18,19,21)/t12-/m0/s1
InChIKeySGWYBCCGJANFCE-LBPRGKRZSA-N
MW317.34 g/mol
LogP1.90
Rot. Bonds7

About (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide (PubChem CID 112507061) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide
PubChem CID112507061
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide
SMILESCc1cc(NC(=O)[C@H](C)NC(=O)CCOc2ccccc2)no1
InChIInChI=1S/C16H19N3O4/c1-11-10-14(19-23-11)18-16(21)12(2)17-15(20)8-9-22-13-6-4-3-5-7-13/h3-7,10,12H,8-9H2,1-2H3,(H,17,20)(H,18,19,21)/t12-/m0/s1
InChIKeySGWYBCCGJANFCE-LBPRGKRZSA-N
XLogP1.90
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide
CID 112507057
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-phenoxypropanoylamino)propanamide
CID 110370366
(2S)-2-[(2-aminoacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 22689772
N-(5-methyl-1,2-oxazol-3-yl)-3-[methyl(3-phenoxypropyl)amino]propanamide
CID 37119026
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenoxyethylsulfanyl)-2-phenylacetamide
CID 51926728
1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea
CID 18101657
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 78792894
(2S)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507063
(2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507075
3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide
CID 110304406
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-phenoxyacetyl)amino]propanamide
CID 110370363
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate
CID 113257886

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide?
The IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide (CID 112507061) is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide.
What is the SMILES notation for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide?
The canonical SMILES for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide is Cc1cc(NC(=O)[C@H](C)NC(=O)CCOc2ccccc2)no1.
What is the InChIKey of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide?
The InChIKey is SGWYBCCGJANFCE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-11-10-14(19-23-11)18-16(21)12(2)17-15(20)8-9-22-13-6-4-3-5-7-13/h3-7,10,12H,8-9H2,1-2H3,(H,17,20)(H,18,19,21)/t12-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide?
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide has a molecular weight of 317.34 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide is sourced from PubChem (CID 112507061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).