(2,5-dimethyl-1,3-thiazol-4-yl)-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]methanone

C19H24N2O4S — CID 155992819

IUPAC(2,5-dimethyl-1,3-thiazol-4-yl)-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]methanone
SMILESCc1nc(C(=O)N2CCOCC(O)(COc3ccccc3C)C2)c(C)s1
InChIInChI=1S/C19H24N2O4S/c1-13-6-4-5-7-16(13)25-12-19(23)10-21(8-9-24-11-19)18(22)17-14(2)26-15(3)20-17/h4-7,23H,8-12H2,1-3H3
InChIKeyPAXWDORVQJFDGW-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.35
Rot. Bonds4

About (2,5-dimethyl-1,3-thiazol-4-yl)-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]methanone

(2,5-dimethyl-1,3-thiazol-4-yl)-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]methanone (PubChem CID 155992819) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-thiazol-4-yl)-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-thiazol-4-yl)-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]methanone
PubChem CID155992819
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name(2,5-dimethyl-1,3-thiazol-4-yl)-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]methanone
SMILESCc1nc(C(=O)N2CCOCC(O)(COc3ccccc3C)C2)c(C)s1
InChIInChI=1S/C19H24N2O4S/c1-13-6-4-5-7-16(13)25-12-19(23)10-21(8-9-24-11-19)18(22)17-14(2)26-15(3)20-17/h4-7,23H,8-12H2,1-3H3
InChIKeyPAXWDORVQJFDGW-UHFFFAOYSA-N
XLogP2.35
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone
CID 132764680
[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 155992805
1-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-3-imidazol-1-ylpropan-1-one
CID 132765216
3-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]propanamide
CID 132948174
4-(1-ethylpiperidin-4-yl)-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-6-ol
CID 132777404
4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-6-ol
CID 132765235
[6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-pyridin-2-ylmethanone
CID 132764545
(2-fluorophenyl)-[6-hydroxy-6-(phenoxymethyl)-1,4-oxazepan-4-yl]methanone
CID 132770536
[6-hydroxy-6-[(4-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(1-methylimidazol-2-yl)methanone
CID 132764679
2-[4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 120527656
[2-[(2-methylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
CID 21264591
N-[[4-(2-amino-6-methylpyrimidine-4-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 110122167

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,3-thiazol-4-yl)-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]methanone?
The IUPAC name of (2,5-dimethyl-1,3-thiazol-4-yl)-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]methanone (CID 155992819) is (2,5-dimethyl-1,3-thiazol-4-yl)-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]methanone.
What is the SMILES notation for (2,5-dimethyl-1,3-thiazol-4-yl)-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]methanone?
The canonical SMILES for (2,5-dimethyl-1,3-thiazol-4-yl)-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]methanone is Cc1nc(C(=O)N2CCOCC(O)(COc3ccccc3C)C2)c(C)s1.
What is the InChIKey of (2,5-dimethyl-1,3-thiazol-4-yl)-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]methanone?
The InChIKey is PAXWDORVQJFDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-13-6-4-5-7-16(13)25-12-19(23)10-21(8-9-24-11-19)18(22)17-14(2)26-15(3)20-17/h4-7,23H,8-12H2,1-3H3.
What are the key properties of (2,5-dimethyl-1,3-thiazol-4-yl)-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]methanone?
(2,5-dimethyl-1,3-thiazol-4-yl)-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]methanone has a molecular weight of 376.48 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3-thiazol-4-yl)-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]methanone is sourced from PubChem (CID 155992819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).