N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylpyrimidine-5-carboxamide

C14H19N5O3 — CID 122569344

IUPACN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NCc1nc(CCOC)no1
InChIInChI=1S/C14H19N5O3/c1-3-4-11-10(7-15-9-17-11)14(20)16-8-13-18-12(19-22-13)5-6-21-2/h7,9H,3-6,8H2,1-2H3,(H,16,20)
InChIKeySMIAIVULXBSBML-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.93
Rot. Bonds8

About N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylpyrimidine-5-carboxamide

N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylpyrimidine-5-carboxamide (PubChem CID 122569344) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylpyrimidine-5-carboxamide
PubChem CID122569344
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NCc1nc(CCOC)no1
InChIInChI=1S/C14H19N5O3/c1-3-4-11-10(7-15-9-17-11)14(20)16-8-13-18-12(19-22-13)5-6-21-2/h7,9H,3-6,8H2,1-2H3,(H,16,20)
InChIKeySMIAIVULXBSBML-UHFFFAOYSA-N
XLogP0.93
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-propylpyrimidine-5-carboxamide
CID 122559370
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide
CID 122556515
N-(cyclohexen-1-ylmethyl)-4-propylpyrimidine-5-carboxamide
CID 77082080
(1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide
CID 154820587
2-[2-[(4-propylpyrimidine-5-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 122558408
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 122562885
N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide
CID 122556239
(1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 163334504
(2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 126427659
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylcyclohexane-1-carboxamide
CID 118787223
4-butoxy-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 5041101
N-[2-(2-methylphenyl)ethyl]-4-propylpyrimidine-5-carboxamide
CID 77084278

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylpyrimidine-5-carboxamide (CID 122569344) is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylpyrimidine-5-carboxamide is CCCc1ncncc1C(=O)NCc1nc(CCOC)no1.
What is the InChIKey of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylpyrimidine-5-carboxamide?
The InChIKey is SMIAIVULXBSBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-3-4-11-10(7-15-9-17-11)14(20)16-8-13-18-12(19-22-13)5-6-21-2/h7,9H,3-6,8H2,1-2H3,(H,16,20).
What are the key properties of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylpyrimidine-5-carboxamide?
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylpyrimidine-5-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 122569344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).