[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[1-(4-methylanilino)cyclohexyl]methanone

C22H29N3O3 — CID 170504634

IUPAC[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[1-(4-methylanilino)cyclohexyl]methanone
SMILESCOCc1nc2c(o1)CCN(C(=O)C1(Nc3ccc(C)cc3)CCCCC1)C2
InChIInChI=1S/C22H29N3O3/c1-16-6-8-17(9-7-16)24-22(11-4-3-5-12-22)21(26)25-13-10-19-18(14-25)23-20(28-19)15-27-2/h6-9,24H,3-5,10-15H2,1-2H3
InChIKeyFMORTYFVOHJJLX-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.83
Rot. Bonds5

About [2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[1-(4-methylanilino)cyclohexyl]methanone

[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[1-(4-methylanilino)cyclohexyl]methanone (PubChem CID 170504634) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is [2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[1-(4-methylanilino)cyclohexyl]methanone.

Molecular Properties

Compound Name[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[1-(4-methylanilino)cyclohexyl]methanone
PubChem CID170504634
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[1-(4-methylanilino)cyclohexyl]methanone
SMILESCOCc1nc2c(o1)CCN(C(=O)C1(Nc3ccc(C)cc3)CCCCC1)C2
InChIInChI=1S/C22H29N3O3/c1-16-6-8-17(9-7-16)24-22(11-4-3-5-12-22)21(26)25-13-10-19-18(14-25)23-20(28-19)15-27-2/h6-9,24H,3-5,10-15H2,1-2H3
InChIKeyFMORTYFVOHJJLX-UHFFFAOYSA-N
XLogP3.83
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 169420314
(E)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-phenylprop-2-en-1-one
CID 169413703
3-[3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 170503868
1H-benzimidazol-2-yl-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170511011
[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-morpholin-4-ylphenyl)methanone
CID 169421079
1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 169415750
2-(3-chlorophenoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 169413425
2-(1H-benzimidazol-2-ylmethoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 169414516
ethyl 1-(4-methylanilino)cyclopentane-1-carboxylate
CID 54889893
2-[5-[(1S)-1-aminoethyl]-3-phenyl-1,2,4-triazol-1-yl]-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 170504873
3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-6-piperidin-4-ylpyran-2-one
CID 170505270
2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 169421751

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[1-(4-methylanilino)cyclohexyl]methanone?
The IUPAC name of [2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[1-(4-methylanilino)cyclohexyl]methanone (CID 170504634) is [2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[1-(4-methylanilino)cyclohexyl]methanone.
What is the SMILES notation for [2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[1-(4-methylanilino)cyclohexyl]methanone?
The canonical SMILES for [2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[1-(4-methylanilino)cyclohexyl]methanone is COCc1nc2c(o1)CCN(C(=O)C1(Nc3ccc(C)cc3)CCCCC1)C2.
What is the InChIKey of [2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[1-(4-methylanilino)cyclohexyl]methanone?
The InChIKey is FMORTYFVOHJJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-16-6-8-17(9-7-16)24-22(11-4-3-5-12-22)21(26)25-13-10-19-18(14-25)23-20(28-19)15-27-2/h6-9,24H,3-5,10-15H2,1-2H3.
What are the key properties of [2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[1-(4-methylanilino)cyclohexyl]methanone?
[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[1-(4-methylanilino)cyclohexyl]methanone has a molecular weight of 383.49 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[1-(4-methylanilino)cyclohexyl]methanone is sourced from PubChem (CID 170504634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).