N-(1,3-benzoxazol-4-yl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide

C17H21N5O4 — CID 75305860

IUPACN-(1,3-benzoxazol-4-yl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESO=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1cccc2ocnc12
InChIInChI=1S/C17H21N5O4/c23-15(19-11-2-1-3-12-17(11)18-10-26-12)8-13-20-14(9-16(24)21-13)22-4-6-25-7-5-22/h1-3,10,13-14,20H,4-9H2,(H,19,23)(H,21,24)
InChIKeyKFOZKAOJTITDNW-UHFFFAOYSA-N
MW359.39 g/mol
LogP0.25
Rot. Bonds4

About N-(1,3-benzoxazol-4-yl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide

N-(1,3-benzoxazol-4-yl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (PubChem CID 75305860) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(1,3-benzoxazol-4-yl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-4-yl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
PubChem CID75305860
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC NameN-(1,3-benzoxazol-4-yl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESO=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1cccc2ocnc12
InChIInChI=1S/C17H21N5O4/c23-15(19-11-2-1-3-12-17(11)18-10-26-12)8-13-20-14(9-16(24)21-13)22-4-6-25-7-5-22/h1-3,10,13-14,20H,4-9H2,(H,19,23)(H,21,24)
InChIKeyKFOZKAOJTITDNW-UHFFFAOYSA-N
XLogP0.25
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-4-yl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The IUPAC name of N-(1,3-benzoxazol-4-yl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (CID 75305860) is N-(1,3-benzoxazol-4-yl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.
What is the SMILES notation for N-(1,3-benzoxazol-4-yl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The canonical SMILES for N-(1,3-benzoxazol-4-yl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is O=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1cccc2ocnc12.
What is the InChIKey of N-(1,3-benzoxazol-4-yl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The InChIKey is KFOZKAOJTITDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4/c23-15(19-11-2-1-3-12-17(11)18-10-26-12)8-13-20-14(9-16(24)21-13)22-4-6-25-7-5-22/h1-3,10,13-14,20H,4-9H2,(H,19,23)(H,21,24).
What are the key properties of N-(1,3-benzoxazol-4-yl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
N-(1,3-benzoxazol-4-yl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide has a molecular weight of 359.39 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-4-yl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is sourced from PubChem (CID 75305860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).