(2S)-3,3-dimethyl-2-(1,2-oxazol-3-ylmethylamino)butanamide

C10H17N3O2 — CID 71866136

IUPAC(2S)-3,3-dimethyl-2-(1,2-oxazol-3-ylmethylamino)butanamide
SMILESCC(C)(C)[C@H](NCc1ccon1)C(N)=O
InChIInChI=1S/C10H17N3O2/c1-10(2,3)8(9(11)14)12-6-7-4-5-15-13-7/h4-5,8,12H,6H2,1-3H3,(H2,11,14)/t8-/m1/s1
InChIKeyMCOWRCKIXWTTMQ-MRVPVSSYSA-N
MW211.26 g/mol
LogP0.66
Rot. Bonds4

About (2S)-3,3-dimethyl-2-(1,2-oxazol-3-ylmethylamino)butanamide

(2S)-3,3-dimethyl-2-(1,2-oxazol-3-ylmethylamino)butanamide (PubChem CID 71866136) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-2-(1,2-oxazol-3-ylmethylamino)butanamide.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-2-(1,2-oxazol-3-ylmethylamino)butanamide
PubChem CID71866136
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name(2S)-3,3-dimethyl-2-(1,2-oxazol-3-ylmethylamino)butanamide
SMILESCC(C)(C)[C@H](NCc1ccon1)C(N)=O
InChIInChI=1S/C10H17N3O2/c1-10(2,3)8(9(11)14)12-6-7-4-5-15-13-7/h4-5,8,12H,6H2,1-3H3,(H2,11,14)/t8-/m1/s1
InChIKeyMCOWRCKIXWTTMQ-MRVPVSSYSA-N
XLogP0.66
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

2-(1,2-oxazol-3-ylmethylamino)butanamide
CID 79503018
2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylpropanamide
CID 81177101
3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine
CID 81171315
methyl 2-(1,2-oxazol-3-ylmethylamino)butanoate
CID 115353525
2,2-dimethyl-3-(1,2-oxazol-3-ylmethylamino)-3-oxopropanoic acid
CID 82820653
ethyl 2-(1,2-oxazol-3-ylmethylamino)pentanoate
CID 79502591
2-amino-2-methyl-N-(1,2-oxazol-3-ylmethyl)pentanamide
CID 81171219
2-[(4-bromophenyl)methylamino]-3,3-dimethylbutanamide
CID 119124787
N-(1,2-oxazol-3-ylmethyl)pentan-3-amine
CID 79002535
3-methoxy-2-(1,2-oxazol-3-ylmethylamino)propanoic acid
CID 103259741
1-amino-3-(1,2-oxazol-3-ylmethyl)urea
CID 81177768
4-(1,2-oxazol-3-ylmethylamino)benzoic acid
CID 81178228

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-2-(1,2-oxazol-3-ylmethylamino)butanamide?
The IUPAC name of (2S)-3,3-dimethyl-2-(1,2-oxazol-3-ylmethylamino)butanamide (CID 71866136) is (2S)-3,3-dimethyl-2-(1,2-oxazol-3-ylmethylamino)butanamide.
What is the SMILES notation for (2S)-3,3-dimethyl-2-(1,2-oxazol-3-ylmethylamino)butanamide?
The canonical SMILES for (2S)-3,3-dimethyl-2-(1,2-oxazol-3-ylmethylamino)butanamide is CC(C)(C)[C@H](NCc1ccon1)C(N)=O.
What is the InChIKey of (2S)-3,3-dimethyl-2-(1,2-oxazol-3-ylmethylamino)butanamide?
The InChIKey is MCOWRCKIXWTTMQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,3)8(9(11)14)12-6-7-4-5-15-13-7/h4-5,8,12H,6H2,1-3H3,(H2,11,14)/t8-/m1/s1.
What are the key properties of (2S)-3,3-dimethyl-2-(1,2-oxazol-3-ylmethylamino)butanamide?
(2S)-3,3-dimethyl-2-(1,2-oxazol-3-ylmethylamino)butanamide has a molecular weight of 211.26 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-2-(1,2-oxazol-3-ylmethylamino)butanamide is sourced from PubChem (CID 71866136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).