2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide

C15H25N3O2 — CID 47001343

IUPAC2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCCc1onc(C)c1C1CCCN1C(=O)NCC(C)C
InChIInChI=1S/C15H25N3O2/c1-5-13-14(11(4)17-20-13)12-7-6-8-18(12)15(19)16-9-10(2)3/h10,12H,5-9H2,1-4H3,(H,16,19)
InChIKeyNGPLRIDSMLHVLU-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.05
Rot. Bonds4

About 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide

2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide (PubChem CID 47001343) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
PubChem CID47001343
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCCc1onc(C)c1C1CCCN1C(=O)NCC(C)C
InChIInChI=1S/C15H25N3O2/c1-5-13-14(11(4)17-20-13)12-7-6-8-18(12)15(19)16-9-10(2)3/h10,12H,5-9H2,1-4H3,(H,16,19)
InChIKeyNGPLRIDSMLHVLU-UHFFFAOYSA-N
XLogP3.05
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Ethyl-5-methylisoxazol-4-yl)(pyrrolidin-1-yl)methanone
CID 1245980
3-((3,5-Dimethylisoxazol-4-yl)methyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2363815
N-(2-(Dimethylamino)ethyl)-3-ethyl-5-methylisoxazole-4-carboxamide
CID 1245014
3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30478640
3-(1-Acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 51083735
3-methyl-5-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-4-carboxamide
CID 53515935
N,4,6-trimethyl-2-oxo-N-(4,5,6,7-tetrahydro-1,2-benzisoxazol-3-ylmethyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 56704286
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylazepane-1-carboxamide
CID 71935964
N'-{(3S*,4R*)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-isopropyl-3-pyrrolidinyl}-N,N-dimethylurea
CID 72875507
4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-N-methylcyclohexane-1-carboxamide
CID 75462449
N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 118744023
3-Ethyl-5-methyl-4-(pyrrolidin-2-yl)-1,2-oxazole
CID 25248268

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide (CID 47001343) is 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide is CCc1onc(C)c1C1CCCN1C(=O)NCC(C)C.
What is the InChIKey of 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is NGPLRIDSMLHVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-13-14(11(4)17-20-13)12-7-6-8-18(12)15(19)16-9-10(2)3/h10,12H,5-9H2,1-4H3,(H,16,19).
What are the key properties of 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47001343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).