2-[(6-methyl-1,3-benzoxazol-2-yl)amino]spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one

C20H22N4O2 — CID 44623882

IUPAC2-[(6-methyl-1,3-benzoxazol-2-yl)amino]spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
SMILESCc1ccc2nc(NC3=NC4(CCCC4)C4=C(CCCC4=O)N3)oc2c1
InChIInChI=1S/C20H22N4O2/c1-12-7-8-13-16(11-12)26-19(22-13)23-18-21-14-5-4-6-15(25)17(14)20(24-18)9-2-3-10-20/h7-8,11H,2-6,9-10H2,1H3,(H2,21,22,23,24)
InChIKeyROBCWOKJNCDQED-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.83
Rot. Bonds1

About 2-[(6-methyl-1,3-benzoxazol-2-yl)amino]spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one

2-[(6-methyl-1,3-benzoxazol-2-yl)amino]spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one (PubChem CID 44623882) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[(6-methyl-1,3-benzoxazol-2-yl)amino]spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one.

Molecular Properties

Compound Name2-[(6-methyl-1,3-benzoxazol-2-yl)amino]spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
PubChem CID44623882
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[(6-methyl-1,3-benzoxazol-2-yl)amino]spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
SMILESCc1ccc2nc(NC3=NC4(CCCC4)C4=C(CCCC4=O)N3)oc2c1
InChIInChI=1S/C20H22N4O2/c1-12-7-8-13-16(11-12)26-19(22-13)23-18-21-14-5-4-6-15(25)17(14)20(24-18)9-2-3-10-20/h7-8,11H,2-6,9-10H2,1H3,(H2,21,22,23,24)
InChIKeyROBCWOKJNCDQED-UHFFFAOYSA-N
XLogP3.83
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(6-methyl-1,3-benzoxazol-2-yl)amino]spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one with MolForge

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Related Compounds

2-(benzo[f][1,3]benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
CID 44623886
2-(1,3-benzoxazol-2-ylamino)-7-phenylspiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
CID 44607600
2-(1,3-benzoxazol-2-ylamino)-1'-benzyl-7,7-dimethylspiro[6,8-dihydro-1H-quinazoline-4,4'-piperidine]-5-one
CID 4886849
6-methyl-N-phenyl-1,3-benzoxazol-2-amine
CID 59991820
2-(1,3-benzoxazol-2-ylamino)-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 46926019
2-(1,3-benzoxazol-2-ylamino)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 46926030
[1-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
CID 115436597
4-(4-chloro-1H-pyrazol-5-yl)-2-[(5-methoxy-1,3-benzoxazol-2-yl)amino]-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 71660776
3-(1,3-benzoxazol-2-ylmethyl)spiro[4,5,6,7-tetrahydroisoquinoline-1,1'-cyclobutane]-8-one
CID 157298335
1-N-(6-methyl-1,3-benzoxazol-2-yl)propane-1,2-diamine
CID 83832907
trans-(1S,2S)-2-[4-[4-[(6-methyl-1,3-benzoxazol-2-yl)amino]phenyl]benzoyl]cyclohexane-1-carboxylic acid
CID 67359518
2-N-(2,2-dimethylcyclohexyl)-1,3-benzoxazole-2,6-diamine
CID 79892885

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1,3-benzoxazol-2-yl)amino]spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one?
The IUPAC name of 2-[(6-methyl-1,3-benzoxazol-2-yl)amino]spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one (CID 44623882) is 2-[(6-methyl-1,3-benzoxazol-2-yl)amino]spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one.
What is the SMILES notation for 2-[(6-methyl-1,3-benzoxazol-2-yl)amino]spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one?
The canonical SMILES for 2-[(6-methyl-1,3-benzoxazol-2-yl)amino]spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one is Cc1ccc2nc(NC3=NC4(CCCC4)C4=C(CCCC4=O)N3)oc2c1.
What is the InChIKey of 2-[(6-methyl-1,3-benzoxazol-2-yl)amino]spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one?
The InChIKey is ROBCWOKJNCDQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12-7-8-13-16(11-12)26-19(22-13)23-18-21-14-5-4-6-15(25)17(14)20(24-18)9-2-3-10-20/h7-8,11H,2-6,9-10H2,1H3,(H2,21,22,23,24).
What are the key properties of 2-[(6-methyl-1,3-benzoxazol-2-yl)amino]spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one?
2-[(6-methyl-1,3-benzoxazol-2-yl)amino]spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one has a molecular weight of 350.42 g/mol, XLogP of 3.83, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1,3-benzoxazol-2-yl)amino]spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one is sourced from PubChem (CID 44623882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).