2-(1,2-benzoxazol-3-yl)-N-ethyl-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]acetamide

C20H18N4O3 — CID 84874507

IUPAC2-(1,2-benzoxazol-3-yl)-N-ethyl-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]acetamide
SMILESCCN(CC1=NC(=O)C2C=CC=CC2=N1)C(=O)Cc1noc2ccccc12
InChIInChI=1S/C20H18N4O3/c1-2-24(12-18-21-15-9-5-3-8-14(15)20(26)22-18)19(25)11-16-13-7-4-6-10-17(13)27-23-16/h3-10,14H,2,11-12H2,1H3
InChIKeyKOMVLWFVYMOYQS-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.34
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-ethyl-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-ethyl-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]acetamide (PubChem CID 84874507) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-ethyl-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-ethyl-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]acetamide
PubChem CID84874507
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-ethyl-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]acetamide
SMILESCCN(CC1=NC(=O)C2C=CC=CC2=N1)C(=O)Cc1noc2ccccc12
InChIInChI=1S/C20H18N4O3/c1-2-24(12-18-21-15-9-5-3-8-14(15)20(26)22-18)19(25)11-16-13-7-4-6-10-17(13)27-23-16/h3-10,14H,2,11-12H2,1H3
InChIKeyKOMVLWFVYMOYQS-UHFFFAOYSA-N
XLogP2.34
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-ethyl-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-ethyl-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]acetamide (CID 84874507) is 2-(1,2-benzoxazol-3-yl)-N-ethyl-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-ethyl-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-ethyl-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]acetamide is CCN(CC1=NC(=O)C2C=CC=CC2=N1)C(=O)Cc1noc2ccccc12.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-ethyl-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]acetamide?
The InChIKey is KOMVLWFVYMOYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-2-24(12-18-21-15-9-5-3-8-14(15)20(26)22-18)19(25)11-16-13-7-4-6-10-17(13)27-23-16/h3-10,14H,2,11-12H2,1H3.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-ethyl-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-ethyl-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]acetamide has a molecular weight of 362.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-ethyl-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 84874507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).