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

C22H25N5O2 — CID 91817855

IUPAC2-(1,2-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
SMILESO=C(Cc1noc2ccccc12)NC1CCN(c2ncnc3c2CCCC3)CC1
InChIInChI=1S/C22H25N5O2/c28-21(13-19-16-5-2-4-8-20(16)29-26-19)25-15-9-11-27(12-10-15)22-17-6-1-3-7-18(17)23-14-24-22/h2,4-5,8,14-15H,1,3,6-7,9-13H2,(H,25,28)
InChIKeyWMDQIFCEPJQKFT-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.82
Rot. Bonds4

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

2-(1,2-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide (PubChem CID 91817855) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
PubChem CID91817855
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
SMILESO=C(Cc1noc2ccccc12)NC1CCN(c2ncnc3c2CCCC3)CC1
InChIInChI=1S/C22H25N5O2/c28-21(13-19-16-5-2-4-8-20(16)29-26-19)25-15-9-11-27(12-10-15)22-17-6-1-3-7-18(17)23-14-24-22/h2,4-5,8,14-15H,1,3,6-7,9-13H2,(H,25,28)
InChIKeyWMDQIFCEPJQKFT-UHFFFAOYSA-N
XLogP2.82
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
CID 91631669
N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 91631718
2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
CID 71935457
2-(3-chloro-4-methoxyphenyl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
CID 91631704
4-phenyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxane-4-carboxamide
CID 91631673
methyl 4-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]benzoate
CID 91631663
2-(1,2-benzoxazol-3-yl)-N-[4-(1,2,4-triazol-1-yl)cyclohexyl]acetamide
CID 175642643
2-methyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 91817859
5-(dithiolan-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pentanamide
CID 121019495
N-[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]butanamide
CID 52851447
N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylbenzamide
CID 167797951
7-methoxy-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 91817853

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide (CID 91817855) is 2-(1,2-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide is O=C(Cc1noc2ccccc12)NC1CCN(c2ncnc3c2CCCC3)CC1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is WMDQIFCEPJQKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-21(13-19-16-5-2-4-8-20(16)29-26-19)25-15-9-11-27(12-10-15)22-17-6-1-3-7-18(17)23-14-24-22/h2,4-5,8,14-15H,1,3,6-7,9-13H2,(H,25,28).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 391.48 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 91817855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).