N-(cyclopropylmethyl)-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide

C18H24N6O2 — CID 56702419

IUPACN-(cyclopropylmethyl)-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCN(CC1CC1)C(=O)c1coc(CN2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C18H24N6O2/c1-22(11-14-3-4-14)17(25)15-13-26-16(21-15)12-23-7-9-24(10-8-23)18-19-5-2-6-20-18/h2,5-6,13-14H,3-4,7-12H2,1H3
InChIKeyPBVOHJGQQYFNDK-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.27
Rot. Bonds6

About N-(cyclopropylmethyl)-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide

N-(cyclopropylmethyl)-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 56702419) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID56702419
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-(cyclopropylmethyl)-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCN(CC1CC1)C(=O)c1coc(CN2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C18H24N6O2/c1-22(11-14-3-4-14)17(25)15-13-26-16(21-15)12-23-7-9-24(10-8-23)18-19-5-2-6-20-18/h2,5-6,13-14H,3-4,7-12H2,1H3
InChIKeyPBVOHJGQQYFNDK-UHFFFAOYSA-N
XLogP1.27
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(cyclopropylmethyl)-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

azocan-1-yl-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone
CID 42509334
(2-ethylpiperidin-1-yl)-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone
CID 45167683
N-cyclohexyl-N-methyl-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856476
N-benzyl-N-methyl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856415
2-(aminomethyl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride
CID 154912007
2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 45190486
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56719764
N-cyclohexyl-N-methyl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856464
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 42196030
2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
CID 42856210
N-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 56714469
2-[(3-methoxyphenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56701984

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide (CID 56702419) is N-(cyclopropylmethyl)-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide is CN(CC1CC1)C(=O)c1coc(CN2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is PBVOHJGQQYFNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-22(11-14-3-4-14)17(25)15-13-26-16(21-15)12-23-7-9-24(10-8-23)18-19-5-2-6-20-18/h2,5-6,13-14H,3-4,7-12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide?
N-(cyclopropylmethyl)-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56702419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).