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

C12H21N3O2 — CID 103951387

IUPAC(2S,3S)-2-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC(C)c1ncc(C)o1
InChIInChI=1S/C12H21N3O2/c1-5-7(2)10(13)11(16)15-9(4)12-14-6-8(3)17-12/h6-7,9-10H,5,13H2,1-4H3,(H,15,16)/t7-,9?,10-/m0/s1
InChIKeyGQMFIBDZCYVJIR-JBVFEPGOSA-N
MW239.32 g/mol
LogP1.53
Rot. Bonds5

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

(2S,3S)-2-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide (PubChem CID 103951387) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
PubChem CID103951387
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC(C)c1ncc(C)o1
InChIInChI=1S/C12H21N3O2/c1-5-7(2)10(13)11(16)15-9(4)12-14-6-8(3)17-12/h6-7,9-10H,5,13H2,1-4H3,(H,15,16)/t7-,9?,10-/m0/s1
InChIKeyGQMFIBDZCYVJIR-JBVFEPGOSA-N
XLogP1.53
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388092
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388094
(2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide
CID 103833289
(2S)-2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-phenylbutanamide
CID 106388377
2-carbamothioyl-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 114182415
2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
CID 114182407
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
CID 106390070
1-ethyl-1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
CID 103952282
3-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 106388299
2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 106388433
tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 103947091
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 106387752

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide (CID 103951387) is (2S,3S)-2-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide is CC[C@H](C)[C@H](N)C(=O)NC(C)c1ncc(C)o1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide?
The InChIKey is GQMFIBDZCYVJIR-JBVFEPGOSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-7(2)10(13)11(16)15-9(4)12-14-6-8(3)17-12/h6-7,9-10H,5,13H2,1-4H3,(H,15,16)/t7-,9?,10-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide?
(2S,3S)-2-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide has a molecular weight of 239.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide is sourced from PubChem (CID 103951387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).