N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indolizine-3-carboxamide

C17H20N4O2 — CID 162631833

IUPACN-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indolizine-3-carboxamide
SMILESCCCc1nc(CN(CC)C(=O)c2ccc3ccccn23)no1
InChIInChI=1S/C17H20N4O2/c1-3-7-16-18-15(19-23-16)12-20(4-2)17(22)14-10-9-13-8-5-6-11-21(13)14/h5-6,8-11H,3-4,7,12H2,1-2H3
InChIKeyYPHVLKJEWHKZKM-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.94
Rot. Bonds6

About N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indolizine-3-carboxamide

N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indolizine-3-carboxamide (PubChem CID 162631833) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indolizine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indolizine-3-carboxamide
PubChem CID162631833
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indolizine-3-carboxamide
SMILESCCCc1nc(CN(CC)C(=O)c2ccc3ccccn23)no1
InChIInChI=1S/C17H20N4O2/c1-3-7-16-18-15(19-23-16)12-20(4-2)17(22)14-10-9-13-8-5-6-11-21(13)14/h5-6,8-11H,3-4,7,12H2,1-2H3
InChIKeyYPHVLKJEWHKZKM-UHFFFAOYSA-N
XLogP2.94
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide
CID 77094118
N-ethyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 72907544
N-ethyl-4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 50956228
3-[(3,4-dimethylphenyl)methyl]-1-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 121495878
N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 51076743
1-ethyl-3-[[(2S)-oxan-2-yl]methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 126443340
N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 50984057
N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 46995525
4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic acid
CID 61496101
(5R)-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-5-carboxylic acid
CID 164631448
1-(difluoromethyl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide
CID 91795608
(2R)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyrazol-1-ylbutanamide
CID 95140902

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indolizine-3-carboxamide?
The IUPAC name of N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indolizine-3-carboxamide (CID 162631833) is N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indolizine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indolizine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indolizine-3-carboxamide is CCCc1nc(CN(CC)C(=O)c2ccc3ccccn23)no1.
What is the InChIKey of N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indolizine-3-carboxamide?
The InChIKey is YPHVLKJEWHKZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-3-7-16-18-15(19-23-16)12-20(4-2)17(22)14-10-9-13-8-5-6-11-21(13)14/h5-6,8-11H,3-4,7,12H2,1-2H3.
What are the key properties of N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indolizine-3-carboxamide?
N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indolizine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indolizine-3-carboxamide is sourced from PubChem (CID 162631833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).