(2S)-2-amino-4-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]pentanamide

C16H22N4O3 — CID 119782500

IUPAC(2S)-2-amino-4-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]pentanamide
SMILESCc1noc(COc2ccc(NC(=O)[C@@H](N)CC(C)C)cc2)n1
InChIInChI=1S/C16H22N4O3/c1-10(2)8-14(17)16(21)19-12-4-6-13(7-5-12)22-9-15-18-11(3)20-23-15/h4-7,10,14H,8-9,17H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeyFFHXYGLFMULFIL-AWEZNQCLSA-N
MW318.38 g/mol
LogP2.27
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]pentanamide

(2S)-2-amino-4-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]pentanamide (PubChem CID 119782500) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]pentanamide
PubChem CID119782500
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name(2S)-2-amino-4-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]pentanamide
SMILESCc1noc(COc2ccc(NC(=O)[C@@H](N)CC(C)C)cc2)n1
InChIInChI=1S/C16H22N4O3/c1-10(2)8-14(17)16(21)19-12-4-6-13(7-5-12)22-9-15-18-11(3)20-23-15/h4-7,10,14H,8-9,17H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeyFFHXYGLFMULFIL-AWEZNQCLSA-N
XLogP2.27
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-amino-4-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]pentanamide with MolForge

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Related Compounds

2-methyl-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]anilino]-3-oxopropanoic acid
CID 122099641
2-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetamide;hydrochloride
CID 119322902
2-amino-2-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propanamide
CID 119322899
2-amino-4-methyl-N-(4-propoxyphenyl)pentanamide
CID 62329193
1-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119782475
(2S)-2-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 61163276
(2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 22691065
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
(2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride
CID 119844261
3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butanamide
CID 120500670
4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 60879201
N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxamide
CID 119322891

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]pentanamide (CID 119782500) is (2S)-2-amino-4-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]pentanamide is Cc1noc(COc2ccc(NC(=O)[C@@H](N)CC(C)C)cc2)n1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]pentanamide?
The InChIKey is FFHXYGLFMULFIL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10(2)8-14(17)16(21)19-12-4-6-13(7-5-12)22-9-15-18-11(3)20-23-15/h4-7,10,14H,8-9,17H2,1-3H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]pentanamide?
(2S)-2-amino-4-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]pentanamide has a molecular weight of 318.38 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]pentanamide is sourced from PubChem (CID 119782500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).