N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide

C17H17ClN4O2 — CID 56750539

IUPACN-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1C(C)C(=O)NCc1cc(-c2ccccc2Cl)on1
InChIInChI=1S/C17H17ClN4O2/c1-11(22-8-7-19-12(22)2)17(23)20-10-13-9-16(24-21-13)14-5-3-4-6-15(14)18/h3-9,11H,10H2,1-2H3,(H,20,23)
InChIKeyQWWPTSVLSOAGSS-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.38
Rot. Bonds5

About N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide

N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide (PubChem CID 56750539) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide
PubChem CID56750539
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC NameN-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1C(C)C(=O)NCc1cc(-c2ccccc2Cl)on1
InChIInChI=1S/C17H17ClN4O2/c1-11(22-8-7-19-12(22)2)17(23)20-10-13-9-16(24-21-13)14-5-3-4-6-15(14)18/h3-9,11H,10H2,1-2H3,(H,20,23)
InChIKeyQWWPTSVLSOAGSS-UHFFFAOYSA-N
XLogP3.38
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylpiperazine-1-carboxamide
CID 122569549
N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 122562809
N-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide
CID 119069534
(2R)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-methylazepane-2-carboxamide
CID 97187936
(3R,6S)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-6-(dimethylamino)-1-methylazepane-3-carboxamide
CID 165425044
(2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 95226094
(2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 126427659
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 45253207
5-(2-chlorophenyl)-3-[(2-pyridin-4-ylimidazol-1-yl)methyl]-1,2-oxazole
CID 70765037
2-[2-(2-chlorophenyl)imidazol-1-yl]propanamide
CID 82559154
[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methanethiol
CID 165473131
2-(2-methylimidazol-1-yl)-N-propan-2-ylpropanamide
CID 63810179

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide (CID 56750539) is N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide is Cc1nccn1C(C)C(=O)NCc1cc(-c2ccccc2Cl)on1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide?
The InChIKey is QWWPTSVLSOAGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-11(22-8-7-19-12(22)2)17(23)20-10-13-9-16(24-21-13)14-5-3-4-6-15(14)18/h3-9,11H,10H2,1-2H3,(H,20,23).
What are the key properties of N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide?
N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide has a molecular weight of 344.80 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide is sourced from PubChem (CID 56750539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).