3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1,3-oxazol-2-yl)propanamide

C20H21FN4O3 — CID 57461556

IUPAC3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1,3-oxazol-2-yl)propanamide
SMILESO=C(Nc1ncco1)C(CC1CCCCC1)n1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C20H21FN4O3/c21-14-6-7-16-15(11-14)19(27)25(12-23-16)17(10-13-4-2-1-3-5-13)18(26)24-20-22-8-9-28-20/h6-9,11-13,17H,1-5,10H2,(H,22,24,26)
InChIKeyQUNCHRUPKHMPEY-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.67
Rot. Bonds5

About 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1,3-oxazol-2-yl)propanamide

3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1,3-oxazol-2-yl)propanamide (PubChem CID 57461556) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1,3-oxazol-2-yl)propanamide
PubChem CID57461556
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1,3-oxazol-2-yl)propanamide
SMILESO=C(Nc1ncco1)C(CC1CCCCC1)n1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C20H21FN4O3/c21-14-6-7-16-15(11-14)19(27)25(12-23-16)17(10-13-4-2-1-3-5-13)18(26)24-20-22-8-9-28-20/h6-9,11-13,17H,1-5,10H2,(H,22,24,26)
InChIKeyQUNCHRUPKHMPEY-UHFFFAOYSA-N
XLogP3.67
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1,3-oxazol-2-yl)propanamide?
The IUPAC name of 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1,3-oxazol-2-yl)propanamide (CID 57461556) is 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1,3-oxazol-2-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1,3-oxazol-2-yl)propanamide is O=C(Nc1ncco1)C(CC1CCCCC1)n1cnc2ccc(F)cc2c1=O.
What is the InChIKey of 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1,3-oxazol-2-yl)propanamide?
The InChIKey is QUNCHRUPKHMPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c21-14-6-7-16-15(11-14)19(27)25(12-23-16)17(10-13-4-2-1-3-5-13)18(26)24-20-22-8-9-28-20/h6-9,11-13,17H,1-5,10H2,(H,22,24,26).
What are the key properties of 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1,3-oxazol-2-yl)propanamide?
3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1,3-oxazol-2-yl)propanamide has a molecular weight of 384.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 57461556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).