N-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide

C16H25N3O3 — CID 56754087

IUPACN-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide
SMILESCCCN(C(=O)c1cc(CN2CCC(O)CC2)on1)C1CC1
InChIInChI=1S/C16H25N3O3/c1-2-7-19(12-3-4-12)16(21)15-10-14(22-17-15)11-18-8-5-13(20)6-9-18/h10,12-13,20H,2-9,11H2,1H3
InChIKeyMALKSCJJPBMARP-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.65
Rot. Bonds6

About N-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide

N-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide (PubChem CID 56754087) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide
PubChem CID56754087
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide
SMILESCCCN(C(=O)c1cc(CN2CCC(O)CC2)on1)C1CC1
InChIInChI=1S/C16H25N3O3/c1-2-7-19(12-3-4-12)16(21)15-10-14(22-17-15)11-18-8-5-13(20)6-9-18/h10,12-13,20H,2-9,11H2,1H3
InChIKeyMALKSCJJPBMARP-UHFFFAOYSA-N
XLogP1.65
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-hydroxypiperidin-1-yl)methyl]-N,N-dipropyl-1,2-oxazole-3-carboxamide
CID 56744415
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56746235
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 56747395
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397827
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56712236
N-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 95190489
[4-(hydroxymethyl)piperidin-1-yl]-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanone
CID 56740716
5-(methoxymethyl)-N-piperidin-4-yl-N-propyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119824672
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 95189063
3-[cyclopropyl-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 66156133
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 95208087
5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2R)-2-hydroxypropyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 95213339

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide (CID 56754087) is N-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide is CCCN(C(=O)c1cc(CN2CCC(O)CC2)on1)C1CC1.
What is the InChIKey of N-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is MALKSCJJPBMARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-2-7-19(12-3-4-12)16(21)15-10-14(22-17-15)11-18-8-5-13(20)6-9-18/h10,12-13,20H,2-9,11H2,1H3.
What are the key properties of N-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide?
N-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56754087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).