N-[1-[2-[[5-(3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]ethyl]pyrrolidin-3-yl]formamide

C15H25N3O3 — CID 142573162

IUPACN-[1-[2-[[5-(3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]ethyl]pyrrolidin-3-yl]formamide
SMILESCC(C)C(C)c1cc(OCCN2CCC(NC=O)C2)no1
InChIInChI=1S/C15H25N3O3/c1-11(2)12(3)14-8-15(17-21-14)20-7-6-18-5-4-13(9-18)16-10-19/h8,10-13H,4-7,9H2,1-3H3,(H,16,19)
InChIKeyPZNOZBQHPQJZTH-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.63
Rot. Bonds8

About N-[1-[2-[[5-(3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]ethyl]pyrrolidin-3-yl]formamide

N-[1-[2-[[5-(3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]ethyl]pyrrolidin-3-yl]formamide (PubChem CID 142573162) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[1-[2-[[5-(3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]ethyl]pyrrolidin-3-yl]formamide.

Molecular Properties

Compound NameN-[1-[2-[[5-(3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]ethyl]pyrrolidin-3-yl]formamide
PubChem CID142573162
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-[1-[2-[[5-(3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]ethyl]pyrrolidin-3-yl]formamide
SMILESCC(C)C(C)c1cc(OCCN2CCC(NC=O)C2)no1
InChIInChI=1S/C15H25N3O3/c1-11(2)12(3)14-8-15(17-21-14)20-7-6-18-5-4-13(9-18)16-10-19/h8,10-13H,4-7,9H2,1-3H3,(H,16,19)
InChIKeyPZNOZBQHPQJZTH-UHFFFAOYSA-N
XLogP1.63
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-ylmethoxy)-1,2-oxazol-5-yl]-3-methylbutanal
CID 170047241
N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]formamide
CID 123875795
1-(2-propan-2-yloxyethyl)-N-propylpyrrolidin-3-amine
CID 104761908
2-[6-[[4-[3-[[5-[(2R)-3-methylbutan-2-yl]-1,2-oxazol-3-yl]oxy]propyl]piperazin-1-yl]methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
CID 174182579
2-[3-[[1-(2-hydroxyethyl)piperidin-4-yl]methoxy]-1,2-oxazol-5-yl]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 166535479
methyl 2-[3-(5,5-dimethoxypentoxy)-1,2-oxazol-5-yl]-3-methylbutanoate
CID 155584345
methyl 2-[3-[2-[2-[4-[3-amino-6-(2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]piperidin-1-yl]ethoxy]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoate
CID 168896448
2-[3-[2-[3-[7-(difluoromethyl)-3-(2-hydroxyphenyl)pyrrolo[3,2-c]pyridazin-5-yl]azetidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanal
CID 170581430
tert-butyl 3-[[5-(1-methoxy-3-methyl-1-oxobutan-2-yl)-1,2-oxazol-3-yl]oxymethyl]azetidine-1-carboxylate
CID 169000411
1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905906
N-[1-(2-methoxyethyl)piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 71924081
N-(1-pentylpiperidin-4-yl)formamide
CID 174935112

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[5-(3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]ethyl]pyrrolidin-3-yl]formamide?
The IUPAC name of N-[1-[2-[[5-(3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]ethyl]pyrrolidin-3-yl]formamide (CID 142573162) is N-[1-[2-[[5-(3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]ethyl]pyrrolidin-3-yl]formamide.
What is the SMILES notation for N-[1-[2-[[5-(3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]ethyl]pyrrolidin-3-yl]formamide?
The canonical SMILES for N-[1-[2-[[5-(3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]ethyl]pyrrolidin-3-yl]formamide is CC(C)C(C)c1cc(OCCN2CCC(NC=O)C2)no1.
What is the InChIKey of N-[1-[2-[[5-(3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]ethyl]pyrrolidin-3-yl]formamide?
The InChIKey is PZNOZBQHPQJZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11(2)12(3)14-8-15(17-21-14)20-7-6-18-5-4-13(9-18)16-10-19/h8,10-13H,4-7,9H2,1-3H3,(H,16,19).
What are the key properties of N-[1-[2-[[5-(3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]ethyl]pyrrolidin-3-yl]formamide?
N-[1-[2-[[5-(3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]ethyl]pyrrolidin-3-yl]formamide has a molecular weight of 295.38 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[[5-(3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]ethyl]pyrrolidin-3-yl]formamide is sourced from PubChem (CID 142573162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).