2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylpropanamide

C10H17N3O2 — CID 81177101

IUPAC2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCc1ccon1
InChIInChI=1S/C10H17N3O2/c1-7(2)12-10(14)8(3)11-6-9-4-5-15-13-9/h4-5,7-8,11H,6H2,1-3H3,(H,12,14)
InChIKeyQTKKMRJVPOMGEB-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.68
Rot. Bonds5

About 2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylpropanamide

2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylpropanamide (PubChem CID 81177101) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylpropanamide
PubChem CID81177101
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCc1ccon1
InChIInChI=1S/C10H17N3O2/c1-7(2)12-10(14)8(3)11-6-9-4-5-15-13-9/h4-5,7-8,11H,6H2,1-3H3,(H,12,14)
InChIKeyQTKKMRJVPOMGEB-UHFFFAOYSA-N
XLogP0.68
TPSA67.16 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 ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine
CID 81171315
(2S)-3,3-dimethyl-2-(1,2-oxazol-3-ylmethylamino)butanamide
CID 71866136
3-methoxy-2-(1,2-oxazol-3-ylmethylamino)propanoic acid
CID 103259741
2-(1,2-oxazol-3-ylmethylamino)butanamide
CID 79503018
6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid
CID 106904908
methyl 2-(1,2-oxazol-3-ylmethylamino)butanoate
CID 115353525
2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 43084839
2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406685
4-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol
CID 81170192
N-(1,2-oxazol-3-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 81178108
2-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]furan-3-carboxylic acid
CID 103262470
2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide
CID 81177144

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylpropanamide (CID 81177101) is 2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NCc1ccon1.
What is the InChIKey of 2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylpropanamide?
The InChIKey is QTKKMRJVPOMGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)12-10(14)8(3)11-6-9-4-5-15-13-9/h4-5,7-8,11H,6H2,1-3H3,(H,12,14).
What are the key properties of 2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylpropanamide?
2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylpropanamide has a molecular weight of 211.26 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 81177101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).