N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide

C19H25N3O3S — CID 166238240

IUPACN-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
SMILESCCc1nc(C)c(NC(=O)N2Cc3ccc(OC)cc3OC(C)(C)C2)s1
InChIInChI=1S/C19H25N3O3S/c1-6-16-20-12(2)17(26-16)21-18(23)22-10-13-7-8-14(24-5)9-15(13)25-19(3,4)11-22/h7-9H,6,10-11H2,1-5H3,(H,21,23)
InChIKeyIBRMJLHKLGDDHT-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.23
Rot. Bonds3

About N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide

N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide (PubChem CID 166238240) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
PubChem CID166238240
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
SMILESCCc1nc(C)c(NC(=O)N2Cc3ccc(OC)cc3OC(C)(C)C2)s1
InChIInChI=1S/C19H25N3O3S/c1-6-16-20-12(2)17(26-16)21-18(23)22-10-13-7-8-14(24-5)9-15(13)25-19(3,4)11-22/h7-9H,6,10-11H2,1-5H3,(H,21,23)
InChIKeyIBRMJLHKLGDDHT-UHFFFAOYSA-N
XLogP4.23
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-2,2-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 166238172
N-(2,6-dimethyl-3-pyridinyl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 167801542
8-methoxy-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 166238171
N-(5-ethyl-1-methylpyrazol-3-yl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 166238255
8-methoxy-2,2-dimethyl-N-(4-methylpyrimidin-2-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 167841596
8-methoxy-2,2-dimethyl-N-(1,2-thiazol-5-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 166252265
8-methoxy-2,2-dimethyl-N-(1,2,5-thiadiazol-3-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 167777535
8-methoxy-2,2-dimethyl-N-(3-methyl-4-pyridinyl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 128857558
N-(2-chlorophenyl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 166238162
8-methoxy-N-(2-methoxy-3-pyridinyl)-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 166238182
N-(5-chloro-3-pyridinyl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 166383947
N-(5-fluoro-2-methoxypyrimidin-4-yl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 167901243

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide?
The IUPAC name of N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide (CID 166238240) is N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide?
The canonical SMILES for N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide is CCc1nc(C)c(NC(=O)N2Cc3ccc(OC)cc3OC(C)(C)C2)s1.
What is the InChIKey of N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide?
The InChIKey is IBRMJLHKLGDDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-6-16-20-12(2)17(26-16)21-18(23)22-10-13-7-8-14(24-5)9-15(13)25-19(3,4)11-22/h7-9H,6,10-11H2,1-5H3,(H,21,23).
What are the key properties of N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide?
N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-8-methoxy-2,2-dimethyl-3,5-dihydro-1,4-benzoxazepine-4-carboxamide is sourced from PubChem (CID 166238240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).