3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide

C16H24N4O3 — CID 119796957

IUPAC3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
SMILESCc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)CC(C)N
InChIInChI=1S/C16H24N4O3/c1-9(17)6-16(21)20(7-14-10(2)18-22-12(14)4)8-15-11(3)19-23-13(15)5/h9H,6-8,17H2,1-5H3
InChIKeyUVMQKVGAGBHYPD-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.16
Rot. Bonds6

About 3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide

3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide (PubChem CID 119796957) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
PubChem CID119796957
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
SMILESCc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)CC(C)N
InChIInChI=1S/C16H24N4O3/c1-9(17)6-16(21)20(7-14-10(2)18-22-12(14)4)8-15-11(3)19-23-13(15)5/h9H,6-8,17H2,1-5H3
InChIKeyUVMQKVGAGBHYPD-UHFFFAOYSA-N
XLogP2.16
TPSA98.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride
CID 119331106
(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide
CID 61164745
1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine
CID 82398747
1-(3-aminopropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 96603384
3-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-2-one
CID 82407822
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60963501
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 47010607
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81088478
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)acetamide
CID 78847325
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide
CID 79235982
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82329705

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide?
The IUPAC name of 3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide (CID 119796957) is 3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide.
What is the SMILES notation for 3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide?
The canonical SMILES for 3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide is Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)CC(C)N.
What is the InChIKey of 3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide?
The InChIKey is UVMQKVGAGBHYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-9(17)6-16(21)20(7-14-10(2)18-22-12(14)4)8-15-11(3)19-23-13(15)5/h9H,6-8,17H2,1-5H3.
What are the key properties of 3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide?
3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide has a molecular weight of 320.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide is sourced from PubChem (CID 119796957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).