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

C17H19N7O2 — CID 131922852

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-quinazolin-4-ylpiperazine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCN(c3ncnc4ccccc34)CC2)no1
InChIInChI=1S/C17H19N7O2/c1-12-21-15(22-26-12)10-18-17(25)24-8-6-23(7-9-24)16-13-4-2-3-5-14(13)19-11-20-16/h2-5,11H,6-10H2,1H3,(H,18,25)
InChIKeyLGHXRHXZJKTSNO-UHFFFAOYSA-N
MW353.39 g/mol
LogP1.35
Rot. Bonds3

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

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-quinazolin-4-ylpiperazine-1-carboxamide (PubChem CID 131922852) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-quinazolin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-quinazolin-4-ylpiperazine-1-carboxamide
PubChem CID131922852
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-quinazolin-4-ylpiperazine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCN(c3ncnc4ccccc34)CC2)no1
InChIInChI=1S/C17H19N7O2/c1-12-21-15(22-26-12)10-18-17(25)24-8-6-23(7-9-24)16-13-4-2-3-5-14(13)19-11-20-16/h2-5,11H,6-10H2,1H3,(H,18,25)
InChIKeyLGHXRHXZJKTSNO-UHFFFAOYSA-N
XLogP1.35
TPSA100.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-quinazolin-4-ylpiperazine-1-carboxamide with MolForge

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Related Compounds

(3R)-3-(1H-benzimidazol-2-ylmethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 125444272
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 122561933
N-ethyl-4-(8-methylquinazolin-4-yl)piperazine-1-carboxamide
CID 133387176
3-methylsulfonyl-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one
CID 131930952
2,2-dimethyl-1-(4-quinazolin-4-yl-1,4-diazepan-1-yl)propan-1-one
CID 171335913
4-(6,7-dimethoxyquinazolin-4-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 22707418
N-(1-quinazolin-4-ylpiperidin-4-yl)morpholine-4-carboxamide
CID 175650217
1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32884666
N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-quinazolin-4-ylpiperazine-1-carboxamide
CID 126423287
(2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32880632
2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 113238378
1-methyl-4-quinazolin-4-ylpiperazine-2-carboxylic acid
CID 178170042

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-quinazolin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-quinazolin-4-ylpiperazine-1-carboxamide (CID 131922852) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-quinazolin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-quinazolin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-quinazolin-4-ylpiperazine-1-carboxamide is Cc1nc(CNC(=O)N2CCN(c3ncnc4ccccc34)CC2)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-quinazolin-4-ylpiperazine-1-carboxamide?
The InChIKey is LGHXRHXZJKTSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-12-21-15(22-26-12)10-18-17(25)24-8-6-23(7-9-24)16-13-4-2-3-5-14(13)19-11-20-16/h2-5,11H,6-10H2,1H3,(H,18,25).
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-quinazolin-4-ylpiperazine-1-carboxamide?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-quinazolin-4-ylpiperazine-1-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-quinazolin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 131922852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).