N-cyclopentyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propanamide

C15H25N3O2 — CID 47358431

IUPACN-cyclopentyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propanamide
SMILESCc1noc(C)c1CN(C)CCC(=O)NC1CCCC1
InChIInChI=1S/C15H25N3O2/c1-11-14(12(2)20-17-11)10-18(3)9-8-15(19)16-13-6-4-5-7-13/h13H,4-10H2,1-3H3,(H,16,19)
InChIKeyUWXLVKDEGSSVFI-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.17
Rot. Bonds6

About N-cyclopentyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propanamide

N-cyclopentyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propanamide (PubChem CID 47358431) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-cyclopentyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propanamide
PubChem CID47358431
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-cyclopentyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propanamide
SMILESCc1noc(C)c1CN(C)CCC(=O)NC1CCCC1
InChIInChI=1S/C15H25N3O2/c1-11-14(12(2)20-17-11)10-18(3)9-8-15(19)16-13-6-4-5-7-13/h13H,4-10H2,1-3H3,(H,16,19)
InChIKeyUWXLVKDEGSSVFI-UHFFFAOYSA-N
XLogP2.17
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245261
9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3233221
N,3,5-Trimethylisoxazole-4-carboxamide
CID 5149864
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46942636
N-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
CID 46943757
3,5-dimethyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-isoxazolecarboxamide
CID 2225560
[(2S,4S)-1-[(dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 119030852
alpha,3,5-Trimethyl-4-isoxazolemethanamine
CID 23006348
N,3,5-Trimethyl-4-isoxazolemethanamine
CID 23006353
1-((Dimethyl-1,2-oxazol-4-yl)methyl)piperazine dihydrochloride
CID 42933684
N-(2-(Dimethylamino)ethyl)-3-ethyl-5-methylisoxazole-4-carboxamide
CID 1245014
N-(3-ethylpent-1-yn-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245925

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propanamide?
The IUPAC name of N-cyclopentyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propanamide (CID 47358431) is N-cyclopentyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propanamide is Cc1noc(C)c1CN(C)CCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propanamide?
The InChIKey is UWXLVKDEGSSVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11-14(12(2)20-17-11)10-18(3)9-8-15(19)16-13-6-4-5-7-13/h13H,4-10H2,1-3H3,(H,16,19).
What are the key properties of N-cyclopentyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propanamide?
N-cyclopentyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propanamide has a molecular weight of 279.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propanamide is sourced from PubChem (CID 47358431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).