(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone

C22H21N3O3 — CID 22551047

IUPAC(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc2c(c1)-c1onc(C(=O)N3CCN(c4ccccc4)CC3)c1CO2
InChIInChI=1S/C22H21N3O3/c1-15-7-8-19-17(13-15)21-18(14-27-19)20(23-28-21)22(26)25-11-9-24(10-12-25)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyLZGFBCSSUKVIQY-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.50
Rot. Bonds2

About (8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone

(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 22551047) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is (8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID22551047
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc2c(c1)-c1onc(C(=O)N3CCN(c4ccccc4)CC3)c1CO2
InChIInChI=1S/C22H21N3O3/c1-15-7-8-19-17(13-15)21-18(14-27-19)20(23-28-21)22(26)25-11-9-24(10-12-25)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyLZGFBCSSUKVIQY-UHFFFAOYSA-N
XLogP3.50
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(4-benzylpiperazin-1-yl)-(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)methanone
CID 22551053
8-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 22551108
(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17253405
N-[(2S)-butan-2-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 92686767
N-(2-carbamoylphenyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273722
4H-chromeno[3,4-d][1,2]oxazol-3-yl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 6623752
(2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110702833
N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273683
(5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 78859047
[4-(3-chlorophenyl)piperazin-1-yl]-(1-methyl-4H-chromeno[3,4-d]pyrazol-3-yl)methanone
CID 22516820
N-(6-acetamido-3-pyridinyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273744
(5-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110689240

Frequently Asked Questions

What is the IUPAC name of (8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone (CID 22551047) is (8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1ccc2c(c1)-c1onc(C(=O)N3CCN(c4ccccc4)CC3)c1CO2.
What is the InChIKey of (8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is LZGFBCSSUKVIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-7-8-19-17(13-15)21-18(14-27-19)20(23-28-21)22(26)25-11-9-24(10-12-25)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3.
What are the key properties of (8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 375.43 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 22551047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).