[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

C19H19F2N5O3 — CID 126896440

IUPAC[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCN(c3ccc4ncnc(OCC(F)F)c4c3)CC2)co1
InChIInChI=1S/C19H19F2N5O3/c1-12-24-16(9-28-12)19(27)26-6-4-25(5-7-26)13-2-3-15-14(8-13)18(23-11-22-15)29-10-17(20)21/h2-3,8-9,11,17H,4-7,10H2,1H3
InChIKeyDGNSGFCRKFGQRU-UHFFFAOYSA-N
MW403.39 g/mol
LogP2.53
Rot. Bonds5

About [4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (PubChem CID 126896440) has the molecular formula C19H19F2N5O3 and a molecular weight of 403.39 g/mol. Its IUPAC name is [4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
PubChem CID126896440
Molecular FormulaC19H19F2N5O3
Molecular Weight403.39 g/mol
Exact Mass403.15
IUPAC Name[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCN(c3ccc4ncnc(OCC(F)F)c4c3)CC2)co1
InChIInChI=1S/C19H19F2N5O3/c1-12-24-16(9-28-12)19(27)26-6-4-25(5-7-26)13-2-3-15-14(8-13)18(23-11-22-15)29-10-17(20)21/h2-3,8-9,11,17H,4-7,10H2,1H3
InChIKeyDGNSGFCRKFGQRU-UHFFFAOYSA-N
XLogP2.53
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone with MolForge

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methanone
CID 126894977
3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 126896543
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402898
[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126894625
4-(2,2-difluoroethoxy)-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126896504
[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126896274
5-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126896518
3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpyrazin-2-one
CID 126896494
[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 126894591
(3-methoxy-1-methylpyrazol-4-yl)-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methanone
CID 126894588
2-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 126896530
5-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpiperidin-2-one
CID 126896557

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (CID 126896440) is [4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is Cc1nc(C(=O)N2CCN(c3ccc4ncnc(OCC(F)F)c4c3)CC2)co1.
What is the InChIKey of [4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The InChIKey is DGNSGFCRKFGQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O3/c1-12-24-16(9-28-12)19(27)26-6-4-25(5-7-26)13-2-3-15-14(8-13)18(23-11-22-15)29-10-17(20)21/h2-3,8-9,11,17H,4-7,10H2,1H3.
What are the key properties of [4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone has a molecular weight of 403.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 126896440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).