2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide

C22H25N5O3 — CID 91631669

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NC1CCN(c2ncnc3c2CCCC3)CC1
InChIInChI=1S/C22H25N5O3/c28-20(13-27-18-7-3-4-8-19(18)30-22(27)29)25-15-9-11-26(12-10-15)21-16-5-1-2-6-17(16)23-14-24-21/h3-4,7-8,14-15H,1-2,5-6,9-13H2,(H,25,28)
InChIKeyGBELPKYTTXFFSH-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.05
Rot. Bonds4

About 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide (PubChem CID 91631669) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
PubChem CID91631669
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NC1CCN(c2ncnc3c2CCCC3)CC1
InChIInChI=1S/C22H25N5O3/c28-20(13-27-18-7-3-4-8-19(18)30-22(27)29)25-15-9-11-26(12-10-15)21-16-5-1-2-6-17(16)23-14-24-21/h3-4,7-8,14-15H,1-2,5-6,9-13H2,(H,25,28)
InChIKeyGBELPKYTTXFFSH-UHFFFAOYSA-N
XLogP2.05
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
CID 91817855
ethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 23794461
N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 91631718
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentylacetamide
CID 43447858
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 45194204
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 104957458
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 104927452
N-cyclopentyl-2-[2-oxo-5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide
CID 53006890
methyl 4-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]benzoate
CID 91631663
N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylbenzamide
CID 167797951
2-methyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 91817859
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 55802709

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide (CID 91631669) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide is O=C(Cn1c(=O)oc2ccccc21)NC1CCN(c2ncnc3c2CCCC3)CC1.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is GBELPKYTTXFFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c28-20(13-27-18-7-3-4-8-19(18)30-22(27)29)25-15-9-11-26(12-10-15)21-16-5-1-2-6-17(16)23-14-24-21/h3-4,7-8,14-15H,1-2,5-6,9-13H2,(H,25,28).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 407.47 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 91631669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).