4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide

C16H29N3O2 — CID 106388297

IUPAC4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide
SMILESCc1cnc(C(C)NC(=O)CCC(CCN)C(C)(C)C)o1
InChIInChI=1S/C16H29N3O2/c1-11-10-18-15(21-11)12(2)19-14(20)7-6-13(8-9-17)16(3,4)5/h10,12-13H,6-9,17H2,1-5H3,(H,19,20)
InChIKeyBOIMSPBHMCTTHR-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.95
Rot. Bonds7

About 4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide

4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide (PubChem CID 106388297) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide
PubChem CID106388297
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide
SMILESCc1cnc(C(C)NC(=O)CCC(CCN)C(C)(C)C)o1
InChIInChI=1S/C16H29N3O2/c1-11-10-18-15(21-11)12(2)19-14(20)7-6-13(8-9-17)16(3,4)5/h10,12-13H,6-9,17H2,1-5H3,(H,19,20)
InChIKeyBOIMSPBHMCTTHR-UHFFFAOYSA-N
XLogP2.95
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-cyclopentylacetamide
CID 56784562
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377165
(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethylbutanamide
CID 71983339
(3S)-3-methyl-3-(2-methylpropyl)-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione
CID 96353400
(3S)-3-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propylpiperazin-2-one
CID 99823808
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 136580637
tert-butyl N-[(1S,2S)-1-[5-(bromomethyl)-1,3-oxazol-2-yl]-2-methylbutyl]carbamate
CID 53466017
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 102672927
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 104696223
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104862556
6,6,6-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexan-2-amine
CID 104928143
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 104934185

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide?
The IUPAC name of 4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide (CID 106388297) is 4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide?
The canonical SMILES for 4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide is Cc1cnc(C(C)NC(=O)CCC(CCN)C(C)(C)C)o1.
What is the InChIKey of 4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide?
The InChIKey is BOIMSPBHMCTTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-11-10-18-15(21-11)12(2)19-14(20)7-6-13(8-9-17)16(3,4)5/h10,12-13H,6-9,17H2,1-5H3,(H,19,20).
What are the key properties of 4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide?
4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide has a molecular weight of 295.43 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide is sourced from PubChem (CID 106388297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).