N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,3-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C14H22N4O2 — CID 56870642

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,3-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1=NOC(C(=O)N(C)CCCn2nc(C)cc2C)C1
InChIInChI=1S/C14H22N4O2/c1-10-8-12(3)18(15-10)7-5-6-17(4)14(19)13-9-11(2)16-20-13/h8,13H,5-7,9H2,1-4H3
InChIKeyJRMGYUWDDXRYIU-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.51
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,3-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,3-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 56870642) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,3-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,3-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID56870642
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,3-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1=NOC(C(=O)N(C)CCCn2nc(C)cc2C)C1
InChIInChI=1S/C14H22N4O2/c1-10-8-12(3)18(15-10)7-5-6-17(4)14(19)13-9-11(2)16-20-13/h8,13H,5-7,9H2,1-4H3
InChIKeyJRMGYUWDDXRYIU-UHFFFAOYSA-N
XLogP1.51
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,3-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide
CID 45153901
(2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyloxolane-2-carboxamide
CID 56741185
2-Hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one
CID 122633451
(2S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
CID 8061552
(2R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
CID 8061553
(2S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide
CID 35524824
(2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide
CID 35524826
1-(2,6-Dimethylmorpholin-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 42890585
3-(3,5-Dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43416874
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
CID 43572951
2-[(Z)-1-(3,5-dimethylpyrazol-1-yl)propan-2-ylideneamino]oxy-N-(2-methylpropyl)acetamide
CID 45832441
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-N-methyl-3-(1,2-oxazinan-2-yl)propanamide
CID 46997347

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,3-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,3-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 56870642) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,3-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,3-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,3-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CC1=NOC(C(=O)N(C)CCCn2nc(C)cc2C)C1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,3-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is JRMGYUWDDXRYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-8-12(3)18(15-10)7-5-6-17(4)14(19)13-9-11(2)16-20-13/h8,13H,5-7,9H2,1-4H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,3-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,3-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,3-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 56870642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).