(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(3R)-oxolan-3-yl]methylamino]butanamide

C13H21N3O3 — CID 94181888

IUPAC(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(3R)-oxolan-3-yl]methylamino]butanamide
SMILESCC[C@@H](NC[C@H]1CCOC1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C13H21N3O3/c1-3-11(14-7-10-4-5-18-8-10)13(17)15-12-6-9(2)19-16-12/h6,10-11,14H,3-5,7-8H2,1-2H3,(H,15,16,17)/t10-,11-/m1/s1
InChIKeyAPSHPMLYDPVAOG-GHMZBOCLSA-N
MW267.33 g/mol
LogP1.33
Rot. Bonds6

About (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(3R)-oxolan-3-yl]methylamino]butanamide

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(3R)-oxolan-3-yl]methylamino]butanamide (PubChem CID 94181888) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(3R)-oxolan-3-yl]methylamino]butanamide.

Molecular Properties

Compound Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(3R)-oxolan-3-yl]methylamino]butanamide
PubChem CID94181888
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(3R)-oxolan-3-yl]methylamino]butanamide
SMILESCC[C@@H](NC[C@H]1CCOC1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C13H21N3O3/c1-3-11(14-7-10-4-5-18-8-10)13(17)15-12-6-9(2)19-16-12/h6,10-11,14H,3-5,7-8H2,1-2H3,(H,15,16,17)/t10-,11-/m1/s1
InChIKeyAPSHPMLYDPVAOG-GHMZBOCLSA-N
XLogP1.33
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(3R)-oxolan-3-yl]methylamino]butanamide with MolForge

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Related Compounds

2-(oxolan-3-ylmethylamino)butanoic acid
CID 64668954
(2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 25355318
ethyl 2-(oxolan-3-ylmethylamino)pentanoate
CID 79041046
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylmethylamino)butanamide
CID 35789320
N-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxamide
CID 110690048
(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 79024953
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pentanamide
CID 670809
1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94124276
(2R)-2-[(2-methoxy-3-pyridinyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 35623653
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide
CID 94031927
ethyl 2-(oxan-4-ylmethylamino)butanoate
CID 64670157
2-[[(3S,4R)-3-methoxyoxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 166276773

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(3R)-oxolan-3-yl]methylamino]butanamide?
The IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(3R)-oxolan-3-yl]methylamino]butanamide (CID 94181888) is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(3R)-oxolan-3-yl]methylamino]butanamide.
What is the SMILES notation for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(3R)-oxolan-3-yl]methylamino]butanamide?
The canonical SMILES for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(3R)-oxolan-3-yl]methylamino]butanamide is CC[C@@H](NC[C@H]1CCOC1)C(=O)Nc1cc(C)on1.
What is the InChIKey of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(3R)-oxolan-3-yl]methylamino]butanamide?
The InChIKey is APSHPMLYDPVAOG-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-11(14-7-10-4-5-18-8-10)13(17)15-12-6-9(2)19-16-12/h6,10-11,14H,3-5,7-8H2,1-2H3,(H,15,16,17)/t10-,11-/m1/s1.
What are the key properties of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(3R)-oxolan-3-yl]methylamino]butanamide?
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(3R)-oxolan-3-yl]methylamino]butanamide has a molecular weight of 267.33 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(3R)-oxolan-3-yl]methylamino]butanamide is sourced from PubChem (CID 94181888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).