2-(1,3-benzoxazol-2-ylamino)spiro[4a,6,7,8-tetrahydroquinazoline-4,4'-oxane]-5-one

C19H20N4O3 — CID 123242836

IUPAC2-(1,3-benzoxazol-2-ylamino)spiro[4a,6,7,8-tetrahydroquinazoline-4,4'-oxane]-5-one
SMILESO=C1CCCC2=NC(Nc3nc4ccccc4o3)=NC3(CCOCC3)C12
InChIInChI=1S/C19H20N4O3/c24-14-6-3-5-13-16(14)19(8-10-25-11-9-19)23-17(20-13)22-18-21-12-4-1-2-7-15(12)26-18/h1-2,4,7,16H,3,5-6,8-11H2,(H,21,22,23)
InChIKeyUOXGUVFVPCJJPJ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.97
Rot. Bonds1

About 2-(1,3-benzoxazol-2-ylamino)spiro[4a,6,7,8-tetrahydroquinazoline-4,4'-oxane]-5-one

2-(1,3-benzoxazol-2-ylamino)spiro[4a,6,7,8-tetrahydroquinazoline-4,4'-oxane]-5-one (PubChem CID 123242836) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylamino)spiro[4a,6,7,8-tetrahydroquinazoline-4,4'-oxane]-5-one.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylamino)spiro[4a,6,7,8-tetrahydroquinazoline-4,4'-oxane]-5-one
PubChem CID123242836
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-(1,3-benzoxazol-2-ylamino)spiro[4a,6,7,8-tetrahydroquinazoline-4,4'-oxane]-5-one
SMILESO=C1CCCC2=NC(Nc3nc4ccccc4o3)=NC3(CCOCC3)C12
InChIInChI=1S/C19H20N4O3/c24-14-6-3-5-13-16(14)19(8-10-25-11-9-19)23-17(20-13)22-18-21-12-4-1-2-7-15(12)26-18/h1-2,4,7,16H,3,5-6,8-11H2,(H,21,22,23)
InChIKeyUOXGUVFVPCJJPJ-UHFFFAOYSA-N
XLogP2.97
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1,3-benzoxazol-2-ylamino)spiro[4a,6,7,8-tetrahydroquinazoline-4,4'-oxane]-5-one with MolForge

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Related Compounds

2-[[6-[2-[(5-chloro-1,3-benzoxazol-2-yl)amino]-5-oxospiro[4a,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-7-yl]-1,3-benzoxazol-2-yl]amino]-3'-ethyl-6-[2-[(3'-methyl-5-oxospiro[4a,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-2-yl)amino]-1,3-benzoxazol-6-yl]spiro[4a,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
CID 123929611
2-(1,3-benzoxazol-2-ylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135436391
4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one
CID 138676621
N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]-1,3-benzoxazol-2-amine
CID 97338006
N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine
CID 62351549
N-(1-methylcyclobutyl)-1,3-benzoxazol-2-amine
CID 115765396
2-(1,3-benzoxazol-2-ylamino)-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 46926019
N-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine
CID 82728937
6-(1,3-benzoxazol-2-ylamino)-8-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
CID 71660771
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)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 46926030
cis-(1S,2R)-2-N-(1,3-benzoxazol-2-yl)cyclohexane-1,2-diamine
CID 93454080

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylamino)spiro[4a,6,7,8-tetrahydroquinazoline-4,4'-oxane]-5-one?
The IUPAC name of 2-(1,3-benzoxazol-2-ylamino)spiro[4a,6,7,8-tetrahydroquinazoline-4,4'-oxane]-5-one (CID 123242836) is 2-(1,3-benzoxazol-2-ylamino)spiro[4a,6,7,8-tetrahydroquinazoline-4,4'-oxane]-5-one.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylamino)spiro[4a,6,7,8-tetrahydroquinazoline-4,4'-oxane]-5-one?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylamino)spiro[4a,6,7,8-tetrahydroquinazoline-4,4'-oxane]-5-one is O=C1CCCC2=NC(Nc3nc4ccccc4o3)=NC3(CCOCC3)C12.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylamino)spiro[4a,6,7,8-tetrahydroquinazoline-4,4'-oxane]-5-one?
The InChIKey is UOXGUVFVPCJJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-14-6-3-5-13-16(14)19(8-10-25-11-9-19)23-17(20-13)22-18-21-12-4-1-2-7-15(12)26-18/h1-2,4,7,16H,3,5-6,8-11H2,(H,21,22,23).
What are the key properties of 2-(1,3-benzoxazol-2-ylamino)spiro[4a,6,7,8-tetrahydroquinazoline-4,4'-oxane]-5-one?
2-(1,3-benzoxazol-2-ylamino)spiro[4a,6,7,8-tetrahydroquinazoline-4,4'-oxane]-5-one has a molecular weight of 352.39 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylamino)spiro[4a,6,7,8-tetrahydroquinazoline-4,4'-oxane]-5-one is sourced from PubChem (CID 123242836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).