(2S)-2-amino-3-(4-hydroxyphenyl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C13H15N3O3 — CID 61148539

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](N)Cc2ccc(O)cc2)on1
InChIInChI=1S/C13H15N3O3/c1-8-6-12(19-16-8)15-13(18)11(14)7-9-2-4-10(17)5-3-9/h2-6,11,17H,7,14H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyWHCFVBUYSXKPER-NSHDSACASA-N
MW261.28 g/mol
LogP1.20
Rot. Bonds4

About (2S)-2-amino-3-(4-hydroxyphenyl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide

(2S)-2-amino-3-(4-hydroxyphenyl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 61148539) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID61148539
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](N)Cc2ccc(O)cc2)on1
InChIInChI=1S/C13H15N3O3/c1-8-6-12(19-16-8)15-13(18)11(14)7-9-2-4-10(17)5-3-9/h2-6,11,17H,7,14H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyWHCFVBUYSXKPER-NSHDSACASA-N
XLogP1.20
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-3-(4-hydroxyphenyl)propanamide
CID 104905499
(2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104905420
2-amino-3-(4-hydroxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 114350796
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylpyrazol-3-yl)propanamide
CID 104905050
2-amino-3-(4-hydroxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106415956
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106416404
(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 104618065
2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 76892554
(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904678
(2R)-2-amino-N-(2-fluoro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104905619
2-amino-N-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891970
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 104904532

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 61148539) is (2S)-2-amino-3-(4-hydroxyphenyl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)[C@@H](N)Cc2ccc(O)cc2)on1.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is WHCFVBUYSXKPER-NSHDSACASA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-6-12(19-16-8)15-13(18)11(14)7-9-2-4-10(17)5-3-9/h2-6,11,17H,7,14H2,1H3,(H,15,18)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 261.28 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 61148539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).