N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide

C18H15N5O3 — CID 91819179

IUPACN-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide
SMILESCc1cc(-c2noc(CNC(=O)c3ccc(-n4cccc4)cc3)n2)no1
InChIInChI=1S/C18H15N5O3/c1-12-10-15(21-25-12)17-20-16(26-22-17)11-19-18(24)13-4-6-14(7-5-13)23-8-2-3-9-23/h2-10H,11H2,1H3,(H,19,24)
InChIKeySWVSTMAYWHRCEN-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.75
Rot. Bonds5

About N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide

N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide (PubChem CID 91819179) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide
PubChem CID91819179
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC NameN-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide
SMILESCc1cc(-c2noc(CNC(=O)c3ccc(-n4cccc4)cc3)n2)no1
InChIInChI=1S/C18H15N5O3/c1-12-10-15(21-25-12)17-20-16(26-22-17)11-19-18(24)13-4-6-14(7-5-13)23-8-2-3-9-23/h2-10H,11H2,1H3,(H,19,24)
InChIKeySWVSTMAYWHRCEN-UHFFFAOYSA-N
XLogP2.75
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
CID 91819231
N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 110310794
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 91819291
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 91819251
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 91819274
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 91819244
3-(2-methoxyphenyl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-5-carboxamide
CID 91819241
(1S)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 100758179
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 90602180
(2S)-2-(2-fluorophenoxy)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 100758322
(Z)-3-(2,5-difluorophenyl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide
CID 91819276
methyl 4-[(4-pyrrol-1-ylphenyl)methylcarbamoyl]benzoate
CID 4919619

Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide (CID 91819179) is N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide is Cc1cc(-c2noc(CNC(=O)c3ccc(-n4cccc4)cc3)n2)no1.
What is the InChIKey of N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is SWVSTMAYWHRCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c1-12-10-15(21-25-12)17-20-16(26-22-17)11-19-18(24)13-4-6-14(7-5-13)23-8-2-3-9-23/h2-10H,11H2,1H3,(H,19,24).
What are the key properties of N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide?
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 349.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 91819179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).