N-(cyclopropylmethyl)-2-(piperazin-1-ylmethyl)-1,3-oxazole-4-carboxamide

C13H20N4O2 — CID 42855773

IUPACN-(cyclopropylmethyl)-2-(piperazin-1-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCC1CC1)c1coc(CN2CCNCC2)n1
InChIInChI=1S/C13H20N4O2/c18-13(15-7-10-1-2-10)11-9-19-12(16-11)8-17-5-3-14-4-6-17/h9-10,14H,1-8H2,(H,15,18)
InChIKeyCOMOVCSDBBBRAH-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.22
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(piperazin-1-ylmethyl)-1,3-oxazole-4-carboxamide

N-(cyclopropylmethyl)-2-(piperazin-1-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 42855773) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(piperazin-1-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(piperazin-1-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID42855773
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(cyclopropylmethyl)-2-(piperazin-1-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCC1CC1)c1coc(CN2CCNCC2)n1
InChIInChI=1S/C13H20N4O2/c18-13(15-7-10-1-2-10)11-9-19-12(16-11)8-17-5-3-14-4-6-17/h9-10,14H,1-8H2,(H,15,18)
InChIKeyCOMOVCSDBBBRAH-UHFFFAOYSA-N
XLogP0.22
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
CID 42856210
N-(cyclopropylmethyl)-2-[[4-[(2S)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986405
2-[[4-[[(5-bromo-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 141439321
2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 42850917
4-methyl-2-(piperazin-1-ylmethyl)-1,3-oxazole
CID 82468370
2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 68621530
N-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986253
2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42850919
2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42856182
N-[(4-fluorophenyl)methyl]-2-[[4-(2-hydroxypropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051294
N-cyclohexyl-2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986264
2-[(4-benzylpiperazin-1-yl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-oxazole-4-carboxamide
CID 30675465

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(piperazin-1-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(piperazin-1-ylmethyl)-1,3-oxazole-4-carboxamide (CID 42855773) is N-(cyclopropylmethyl)-2-(piperazin-1-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(piperazin-1-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(piperazin-1-ylmethyl)-1,3-oxazole-4-carboxamide is O=C(NCC1CC1)c1coc(CN2CCNCC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(piperazin-1-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is COMOVCSDBBBRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-13(15-7-10-1-2-10)11-9-19-12(16-11)8-17-5-3-14-4-6-17/h9-10,14H,1-8H2,(H,15,18).
What are the key properties of N-(cyclopropylmethyl)-2-(piperazin-1-ylmethyl)-1,3-oxazole-4-carboxamide?
N-(cyclopropylmethyl)-2-(piperazin-1-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(piperazin-1-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42855773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).