[2-[6-(2-methylphenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone

C22H19N3O3S — CID 97446662

IUPAC[2-[6-(2-methylphenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
SMILESCc1ccccc1-c1ccc2c(-c3ncc(C(=O)N4CCOCC4)s3)noc2c1
InChIInChI=1S/C22H19N3O3S/c1-14-4-2-3-5-16(14)15-6-7-17-18(12-15)28-24-20(17)21-23-13-19(29-21)22(26)25-8-10-27-11-9-25/h2-7,12-13H,8-11H2,1H3
InChIKeyAGMVRIKMSXDLIO-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.40
Rot. Bonds3

About [2-[6-(2-methylphenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone

[2-[6-(2-methylphenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 97446662) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is [2-[6-(2-methylphenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[6-(2-methylphenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
PubChem CID97446662
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name[2-[6-(2-methylphenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
SMILESCc1ccccc1-c1ccc2c(-c3ncc(C(=O)N4CCOCC4)s3)noc2c1
InChIInChI=1S/C22H19N3O3S/c1-14-4-2-3-5-16(14)15-6-7-17-18(12-15)28-24-20(17)21-23-13-19(29-21)22(26)25-8-10-27-11-9-25/h2-7,12-13H,8-11H2,1H3
InChIKeyAGMVRIKMSXDLIO-UHFFFAOYSA-N
XLogP4.40
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methyl-1,4-diazepan-1-yl)-[2-[6-(2-methylphenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]methanone
CID 97446663
(4-methylpiperazin-1-yl)-[2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazol-5-yl]methanone
CID 97446627
[6-(3-anilino-1,2-benzoxazol-6-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50991429
N-(3-methylbutyl)-2-(6-phenyl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
CID 97446524
[4-(6-methoxy-3-pyridinyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
CID 129160769
N-cyclopropyl-4-methyl-3-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2-benzoxazol-6-yl]benzamide
CID 10251505
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
N-[(2S)-3-methylbutan-2-yl]-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
CID 97446637
N-cyclopropyl-4-methyl-3-(3-morpholin-4-yl-1,2-benzoxazol-6-yl)benzamide
CID 10384952
(2,2-dimethylmorpholin-4-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 86991467
(3S)-4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125119525
morpholin-4-yl-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methanone
CID 53119621

Frequently Asked Questions

What is the IUPAC name of [2-[6-(2-methylphenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[6-(2-methylphenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone (CID 97446662) is [2-[6-(2-methylphenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[6-(2-methylphenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[6-(2-methylphenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone is Cc1ccccc1-c1ccc2c(-c3ncc(C(=O)N4CCOCC4)s3)noc2c1.
What is the InChIKey of [2-[6-(2-methylphenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is AGMVRIKMSXDLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-14-4-2-3-5-16(14)15-6-7-17-18(12-15)28-24-20(17)21-23-13-19(29-21)22(26)25-8-10-27-11-9-25/h2-7,12-13H,8-11H2,1H3.
What are the key properties of [2-[6-(2-methylphenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
[2-[6-(2-methylphenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 405.48 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(2-methylphenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97446662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).