(2S)-2-amino-4-methyl-N-(1,2-oxazol-5-ylmethyl)pentanamide

C10H17N3O2 — CID 106416982

IUPAC(2S)-2-amino-4-methyl-N-(1,2-oxazol-5-ylmethyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCc1ccno1
InChIInChI=1S/C10H17N3O2/c1-7(2)5-9(11)10(14)12-6-8-3-4-13-15-8/h3-4,7,9H,5-6,11H2,1-2H3,(H,12,14)/t9-/m0/s1
InChIKeyYNNAXVRYZBJZQV-VIFPVBQESA-N
MW211.26 g/mol
LogP0.66
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-(1,2-oxazol-5-ylmethyl)pentanamide

(2S)-2-amino-4-methyl-N-(1,2-oxazol-5-ylmethyl)pentanamide (PubChem CID 106416982) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(1,2-oxazol-5-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(1,2-oxazol-5-ylmethyl)pentanamide
PubChem CID106416982
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name(2S)-2-amino-4-methyl-N-(1,2-oxazol-5-ylmethyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCc1ccno1
InChIInChI=1S/C10H17N3O2/c1-7(2)5-9(11)10(14)12-6-8-3-4-13-15-8/h3-4,7,9H,5-6,11H2,1-2H3,(H,12,14)/t9-/m0/s1
InChIKeyYNNAXVRYZBJZQV-VIFPVBQESA-N
XLogP0.66
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methylsulfanyl-N-(1,2-oxazol-5-ylmethyl)butanamide
CID 106417251
2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 43107780
3-amino-4,4-dimethyl-N-(1,2-oxazol-5-ylmethyl)pentanamide
CID 106417021
2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide
CID 63246547
(2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 104903307
(2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 104941409
(2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 22691003
2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide
CID 60731482
(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 103630266
(2S)-2-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 61163276
2-amino-4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide
CID 103811641
2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)pentanamide
CID 114186807

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(1,2-oxazol-5-ylmethyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(1,2-oxazol-5-ylmethyl)pentanamide (CID 106416982) is (2S)-2-amino-4-methyl-N-(1,2-oxazol-5-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(1,2-oxazol-5-ylmethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(1,2-oxazol-5-ylmethyl)pentanamide is CC(C)C[C@H](N)C(=O)NCc1ccno1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(1,2-oxazol-5-ylmethyl)pentanamide?
The InChIKey is YNNAXVRYZBJZQV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)5-9(11)10(14)12-6-8-3-4-13-15-8/h3-4,7,9H,5-6,11H2,1-2H3,(H,12,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(1,2-oxazol-5-ylmethyl)pentanamide?
(2S)-2-amino-4-methyl-N-(1,2-oxazol-5-ylmethyl)pentanamide has a molecular weight of 211.26 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(1,2-oxazol-5-ylmethyl)pentanamide is sourced from PubChem (CID 106416982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).