2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide

C19H20N6O2 — CID 131933975

IUPAC2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
SMILESNc1nc2c(c(C(=O)NCc3nc(Cc4ccccc4)no3)n1)CCCC2
InChIInChI=1S/C19H20N6O2/c20-19-22-14-9-5-4-8-13(14)17(24-19)18(26)21-11-16-23-15(25-27-16)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,21,26)(H2,20,22,24)
InChIKeyXIVQULIPJINISW-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.84
Rot. Bonds5

About 2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide

2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide (PubChem CID 131933975) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
PubChem CID131933975
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
SMILESNc1nc2c(c(C(=O)NCc3nc(Cc4ccccc4)no3)n1)CCCC2
InChIInChI=1S/C19H20N6O2/c20-19-22-14-9-5-4-8-13(14)17(24-19)18(26)21-11-16-23-15(25-27-16)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,21,26)(H2,20,22,24)
InChIKeyXIVQULIPJINISW-UHFFFAOYSA-N
XLogP1.84
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide with MolForge

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Related Compounds

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
CID 47437849
(5R)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 92614488
2-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 77089489
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-bromo-1H-indole-2-carboxamide
CID 51126351
2-amino-N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120841335
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine
CID 43663035
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide
CID 43663077
2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131895376
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide
CID 61464371
N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120841331
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61039973
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 106813128

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide (CID 131933975) is 2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide is Nc1nc2c(c(C(=O)NCc3nc(Cc4ccccc4)no3)n1)CCCC2.
What is the InChIKey of 2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The InChIKey is XIVQULIPJINISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c20-19-22-14-9-5-4-8-13(14)17(24-19)18(26)21-11-16-23-15(25-27-16)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,21,26)(H2,20,22,24).
What are the key properties of 2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide is sourced from PubChem (CID 131933975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).