N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-propylpiperidin-4-amine

C16H29N3O — CID 60807855

IUPACN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-propylpiperidin-4-amine
SMILESCCCN(Cc1ncc(C(C)(C)C)o1)C1CCNCC1
InChIInChI=1S/C16H29N3O/c1-5-10-19(13-6-8-17-9-7-13)12-15-18-11-14(20-15)16(2,3)4/h11,13,17H,5-10,12H2,1-4H3
InChIKeyXMNPLYRKNPWGBF-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.94
Rot. Bonds5

About N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-propylpiperidin-4-amine

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-propylpiperidin-4-amine (PubChem CID 60807855) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-propylpiperidin-4-amine
PubChem CID60807855
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-propylpiperidin-4-amine
SMILESCCCN(Cc1ncc(C(C)(C)C)o1)C1CCNCC1
InChIInChI=1S/C16H29N3O/c1-5-10-19(13-6-8-17-9-7-13)12-15-18-11-14(20-15)16(2,3)4/h11,13,17H,5-10,12H2,1-4H3
InChIKeyXMNPLYRKNPWGBF-UHFFFAOYSA-N
XLogP2.94
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpyrrolidin-3-amine
CID 63304604
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79704176
N-propyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine
CID 120835564
N-[(5-bromo-2-pyridinyl)methyl]-N-propylpiperidin-4-amine
CID 115741636
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106638894
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616786
N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-4-amine
CID 60806152
N-propyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120838258
N-[(3-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine
CID 112650950
5-[[piperidin-4-yl(propyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
CID 112753453
N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 60806819
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpiperidin-4-amine
CID 119933143

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-propylpiperidin-4-amine?
The IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-propylpiperidin-4-amine (CID 60807855) is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-propylpiperidin-4-amine?
The canonical SMILES for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-propylpiperidin-4-amine is CCCN(Cc1ncc(C(C)(C)C)o1)C1CCNCC1.
What is the InChIKey of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-propylpiperidin-4-amine?
The InChIKey is XMNPLYRKNPWGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-10-19(13-6-8-17-9-7-13)12-15-18-11-14(20-15)16(2,3)4/h11,13,17H,5-10,12H2,1-4H3.
What are the key properties of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-propylpiperidin-4-amine?
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-propylpiperidin-4-amine has a molecular weight of 279.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 60807855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).