4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propylpiperazine-1-carboxamide

C14H24N4O2 — CID 47278907

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(Cc2c(C)noc2C)CC1
InChIInChI=1S/C14H24N4O2/c1-4-5-15-14(19)18-8-6-17(7-9-18)10-13-11(2)16-20-12(13)3/h4-10H2,1-3H3,(H,15,19)
InChIKeyGCVGKIAQMRIMPX-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.53
Rot. Bonds4

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propylpiperazine-1-carboxamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propylpiperazine-1-carboxamide (PubChem CID 47278907) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propylpiperazine-1-carboxamide
PubChem CID47278907
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(Cc2c(C)noc2C)CC1
InChIInChI=1S/C14H24N4O2/c1-4-5-15-14(19)18-8-6-17(7-9-18)10-13-11(2)16-20-12(13)3/h4-10H2,1-3H3,(H,15,19)
InChIKeyGCVGKIAQMRIMPX-UHFFFAOYSA-N
XLogP1.53
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9506625
9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3233221
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9465685
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide
CID 24686840
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46942636
3,5-dimethyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-isoxazolecarboxamide
CID 2225560
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 18206720
1-[(Dimethyl-1,2-oxazol-4-yl)methyl]piperazine
CID 2772401
1-((Dimethyl-1,2-oxazol-4-yl)methyl)piperazine dihydrochloride
CID 42933684
(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3233416
9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 3234297
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 24687252

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propylpiperazine-1-carboxamide (CID 47278907) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(Cc2c(C)noc2C)CC1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propylpiperazine-1-carboxamide?
The InChIKey is GCVGKIAQMRIMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-5-15-14(19)18-8-6-17(7-9-18)10-13-11(2)16-20-12(13)3/h4-10H2,1-3H3,(H,15,19).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propylpiperazine-1-carboxamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propylpiperazine-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 47278907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).